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National Institute of Standards and Technology f"

7i M5T S/^c/a/ Publication 794

Spectroscopic Library for

Alternative Refrigerant Analysis

Thomas J. Bruno

[00
i
NIST Special Publication 794

Spectroscopic Library for

Alternative Refrigerant Analysis

Thomas J. Bruno

Thermophysics Division

Center for Chemical Technology

National Measurement Laboratory

National Institute of Standards and Technology

Boulder, CO 80303

Sponsored by: U.S. Department of Energy

Washington, DC 20585

August 1990

U.S. Department of Commerce

Robert A. Mosbacher, Secretary

National Institute of Standards and Technology

John W. Lyons, Director
National Institute of Standards U.S. Government Printing Office

and Technology Washington; 1990

Special Publication 794

Natl. Inst. Stand. Technol.

Spec. Publ. 794

192 pages (Aug. 1990)

CODEN: NSPUE2

For sale by the Superintendent

of Documents

U.S. Government Printing Office

Washington, DC 20402
CONTENTS

List of Abbreviations and Symbols vi

Abstract 1

Introduction 1

Ethane Compounds

112 l,2-difluoro-l,l,2,2—tetrachloroethane 5

112a 1,1—difluorotetrachloroethane 9

113 1,1,2—trichlorotrifluoroethane 13

113a l,l,l-trichloro-2,2,2-trifluoroethane 17

114 1,2—dichlorotetrafluoroethane 21

114a 1,1—dichlorotetrafluoroethane 25

115 chloropentafluoroethane 29

116 hexafluoroethane 33

121 1,1,2,2—tetrachlorofluoroethane 37

122 1,1-difluorc—1,2,2-trichloroethane 41

123 2,2-dichloro-l,l,l-trifluoroethane 45

123a 1,2—dichlorotrifluoroethane 49

124 2-chloro-l,l,l,2-tetrafluoroethane 53

125 pentafluoroethane 5 7

131 1,1,2—trichloro—2—fluoroethane 61

131a 1,1,2—trichloro—1—fluoroethane 65

132b l,2-dichloro-l,l-difluoroethane 69

133a 2,2,2-trifluoroethyl chloride 73

134 1,1,2,2—tetrafluoroethane 77

iii
CONTENTS (cont.)

134a 1,1,1,2—tetrafluoroethane 81

141 1,2—dichloro—1—fluoroethane 85

141b 1,1—dichloro—1—fluoroethane 89

142b 1—chloro—1,1—difluoroethane 93

143 1,1,2-trifluoroethane 97

143a 1,1,1-trifluoroethane 101

152a 1,1-difluoroethane 105

161 fluoroethane 109

113B2a/? 2-chloro-l,2-dibromo-l,l,2-trifluoroethane 113

113B2 1—chloro—1,1—dibromotrifluoroethane 11 7

114B2 1,2—dibromotetrafluoroethane 121

123B1 2-bromo-2-chloro-l,l,l-trifluoroethane 125

123B2 l,2-dibromo-l,l,2-trifluoroethane 129

123aBla 1—bromo—2—chloro—1,1,2—trifluoroethane 133

132bB2 l,2-dibromo-l,l-difluoroethane 137

133aBl 2,2,2-trifluoroethyl bromide 141

142B1 2-bromo-l,l-difluoroethane i4 5

151B1 1—bromo—2—fluoroethane 149

Ethylene Compounds

1110 tetrachloroethylene. 153

1111 trichlorofluoroethylene 1 57

1112a l,2-dichloro-2,2-difluoroethylene 16i

1113 chlorotrifluoroethylene 165

1114 tetrafluoroethylene i69

1120 trichloroethylene 173

1121 1,2-dichloro-l-fluoroethylene 1 77

iv
CONTENTS (cont.)

1123 trifluoroethylene 181

1130 cis-l,2-dichloroethylene 185

1130 trans-l,2-dichloroethylene 187

1130a 1,1-dichloroethylene 191

1131a l^hloro—1—fluoroethylene ... . 195

1132a 1,1-difluoroethylene 199

1141 fluoroethylene 203

1112aB2 1,1-dibromodifluoroethylene 207

1122B1 l-bromo-2,2-difluoroethylene 211

Glossary 215

Appendix 1: Lydersen's Method of Critical Property Estimation 217

Appendix 2: Sources of Toxicology and Physical Properties 219

Appendix 3: Refrigerant Code Numbers for Ethane

and Ethylene—Based Compounds 220

Appendix 4: Unit Conversions 221

V
List of Abbreviations and Symbols

C A Q V-'IlClIllLdi /\L)birdClo OclVlCc

Lnwpr F.Ynlnsivp Tiimit

NA Nnt l^Uu availaVilp a* v ductule

NF WAt pet 2 HI i e Vi Prl

PEL Permissible Exposure Level (OSHA)

TLV Threshold Limit Value (ACGIH, see Appendix 2)

UEL Upper Explosive Limit

* Indicates calculated values of critical parameters

vi
SPECTROSCOPIC LIBRARY FOR ALTERNATIVE REFRIGERANT ANALYSIS

Thomas J. Bruno

Thermophysics Division

National Institute of Standards and TechnologyBoulder, CO 80303

Abstract

This Special Publication contains infrared and mass spectra for a wide range of

chloro—fluoro—bromo ethanes and ethylenes that are relevant to research on alternative

refrigerants. Alternative refrigerants are working fluids that are thought not to contribute

significantly to atmospheric ozone depletion. In addition to the spectroscopic data, some

physical property and safety information is included for each fluid as well. Not all of the

compounds covered in this publication can be used as refrigerants. Indeed, some of them

are, in fact, solids under ambient conditions, and others are fully halogenated, thus making

them unfavorable from an ozone depletion standpoint. The study of all of these materials

is important, however, since many will be found as impurities or reaction/decomposition

products of refrigerant fluids. This publication provides a single source for some

particularly useful analytical information needed in the identification of these compounds.

Key words: alternative refrigerants; chemical analysis; infrared spectrophotometry; mass

spectrometry; safety.

Introduction

In recent years, ozone depletion has become the topic of a great deal of intensive

scientific research. One aspect of this research is the development of safe substitutes for

fully halogenated chlorofluorcarbon fluids which have been used as refrigerants and

propellants. These new materials are now called alternative refrigerants. To properly

evaluate the potential of any new working fluid for a refrigeration cycle or propellant

application, a complete set of thermophysical property data is required. This will allow the

relevant engineering properties of these materials to be mathematically modeled or correlated using some form of an equation of state. The models will then provide a predictive capability over an extensive range of conditions.

In order to provide a large enough database for correlation, the measurement of the

relevant thermophysical properties often extends into relatively severe areas of temperature

and pressure. This is necessary despite the fact that a working fluid may not be subject to such severe conditions in a typical engineering application. High temperatures and

pressures are cause for concern in experimental thermophysics, since there is a significant

potential for chemical reactions and decomposition of the fluids being studied. It has been

recognized in recent years that the possibility of chemical reactivity must be addressed

early in the design of a measurement program, and a sampling and analysis protocol must

be built into the program. A detailed description of the NIST protocol for measurements

on reactive fluids is available elsewhere [1,2], and will not be repeated here.

Note: Certain commercial equipment, instruments, or materials are identified in this

Special Publication in order to provide an adequate description. Such identification does

not imply recommendation or endorsement by the National Institute of Standards and

Technology, nor does it imply that the materials or equipment identified are necessarily the

best available for the purpose.

1
Aside from the temperature and pressure of an experiment, the chemical nature of

the fluids themselves must be considered. The fluids that are not fully halogenated appear

to be moderately reactive toward many metals. This includes many common component

construction materials such as aluminum. In the presence of many finely divided or powdered metals, some of the fluids react vigorously, even violently. In the presence of

water, some tend to slowly hydrolyze. Several of the ethylene based fluids react violently

in the presence of air. The reaction products of these fluids are potentially dangerous. At

elevated temperatures hydrogen fluoride, hydrogen chloride, phosgene, and carbonyl

halides, as well as carbon monoxide and carbon dioxide, can form upon the

disproportionation of many alternative refrigerant fluids. The temperature range at which

reactions begin can be surprisingly low, often between 140 and 160 0 C. In addition to thermal decomposition and reactions with metals and oxidants, alternative refrigerant

fluids are known to be somewhat aggressive toward elastomeric materials, much more so than the older refrigerants soon to be replaced. Since elastomerics are used extensively in

refrigeration and air conditioning process components, the application of extensive chemical

analysis programs to alternative refrigerant work is unavoidable.

This collection of infrared and mass spectra has been assembled to assist the

experimenter working on alternative refrigerants in the identification of contaminants and

reaction products. The compounds are listed by the appropriate American Society of

Heating, Refrigerating and Air—Conditioning Engineers (ASHRAE) number and systematic

chemical name. The synonyms listed are common or generic names, trade names, or systematic chemical names which may be technically incorrect but which are often

encountered either in the older scientific literature or manufacturer/ trade literature A

guide to the refrigerant numbering system is provided in Appendix 3. Other physical

properties which are relevant to chemical analysis have been included where possible. The

sources of these data are listed in Appendix 2. Where they are available, experimental

values for the critical parameters are given. When measured critical properties are not

available, they have been calculated using the group contribution method of Lydersen,

which is described in Appendix 1. The calculated values are denoted by an asterisk. The

specific gravity values cited include the temperature of the fluid relative to the temperature

of water. When only one temperature is cited, the value is a density value, rather than

specific gravity. In some instances, when ambiguity is possible, the state of matter is included. The refractive index values include the temperature and state of matter of the

fluid when appropriate. The values for vapor density (at ambient temperature and

pressure, unless otherwise indicated) are, with respect to air, assigned a value of 1 by

definition. In rare instances, the vapor density is provided in g/mL. The vapor pressures

of the fluids have not been included because there is often very significant disagreement

among the values cited in the literature. The normal boiling point of each fluid is included,

however.

The mass spectra were recorded using a mass selective detector interfaced to a

capillary column gas chromatograph. Retention indices and chromatographic parameters

have not been included, since separation methods are usually developed and optimized

individually for each application. The mass spectrometer operated in electron impact

mode, and a quadrupole sector provided mass filtration. Calibration and tuning was done

using perfluorotributylamine. The spectra are presented as normalized histograms versus mass/charge, and are also tabulated as mass/charge versus ion current (in arbitrary units).

For the sake of clarity, the common contaminant peaks, such as m/e=32 for oxygen and

m/e=28 for nitrogen, have been deleted from both the histograms and the tabulations.

The infrared spectra were obtained using a ratio recording energy dispersive

spectrophotometer. Sodium chloride optics were used in all sample cells. Neat samples

(without solvent) were measured in either a liquid or gas cell, depending upon the vapor

pressure of the fluid.

2
The toxicology of each fluid was searched in a variety of sources, all of which are summarized in Appendix 2. When the toxicology is listed as being unknown, or not known

in detail, it is ABSOLUTELY ESSENTIAL that the user apply precautions appropriate for a highly hazardous substance [3]. In no case should the lack of detailed information on a

fluid be considered reason to treat the fluid with anything but extreme caution. Since SI

units are used throughout the body of the text of this Special Publication, a conversion

table is provided in Appendix 4 to allow the user to easily convert to the appropriate

inch—pound units. Definitions of terms used in this Special Publication are provided in the

Glossary.

The financial support of the U.S. Department of Energy, Office of Buildings and

Community Systems, is gratefully acknowledged. The assistance of Stephanie L. Outcalt,

Laurell R. Phillips, Wesley Breshears, and Douglas Farmer (all of the National Institute of

Standards and Technology) in the preparation of this publication is also gratefully

acknowledged. The author would like to acknowledge the assistance of the Mountain

Administrative Support Center Library, especially librarians Jean M. Bankhead and Jane

Watterson.

References

[1] Bruno, T. J., Hume, G. L., J. Res. Natl. Bur. Stand., (U.S.), 90(3), 255, 1985.

[2] Bruno, T. J., Straty, G. C, J. Res. Natl. Bur. Stand., (U.S.), 91(3), 135, 1986.

[3] Bruno, T. J., Strategy for Chemical Analysis of Alternative Refrigerants, Tech.

Note 1340, Natl. Inst. Stand. Tech., (U.S.), May 1990.

3

112 1 , 2-difluoro-l ,1,2, 2-t etrachloroethane

synonyms: 1 , 2-difluoro-l , 1 ,2,2-tetrachloroethane.

structure: C. A. S. Registry Number: 76-12-0

Relative Molecular Mass: 203.83

CI CI

Normal Boiling Point: 92.8 °C

Melting Point: 23.8 °C Density/Specific Gravity: 1.634 (30/4)

Critical Temperature: 278 °C Refractive Index: 1.4130

Critical Pressure: 4.83 MPa*

Critical Density: 0.754 g/mL*

Vapor Density: >1 PEL: NE TLV: NE

FlashPoint: NA UEL: NA LEL: NA

Toxicology: May cause cardiac arrhythmia, pulmonary edema, conjunctivitis.

Reactivities and Chemical Incompatibilities: Thermal decomposition may produce HC1 and

HF; avoid contact with active metals.

Solubilities: Somewhat soluble in alcohols, ether, chloroform, carbon tetrachloride;

H2 0: 0.01 percent at 25 °C.

5
Mass Spectrum:

100.00 -i

<U 75.00 - o

u

O 50.00 - c

^ 25.00

0.00

49

1 ,2 — difluoro — 1 , 1 ,2,2-tetrachloroethane

66

59_L

-im—

68

82

78

45.00

i—i—

101

96,97

I

I I

103

105

117

85.00

119 132

I

I

I 125.00

.134 150

167

169

Mass/Charge

173

165.00

204 1—I—I—

205.00

m/e Abund. m/e Abund. m/e Abund. m/e Abund.

35.00 208449 68.00 51952 101.00 923935 134.00 67607

37.00 67832 78.00 70718 103.00 547993 150.00 23200

40.00 26573 82.00 112418 105.00 87869 167.00 449404

47.00 225030 84.00 75951 117.00 168051 169.00 427661

49.00 72700 94.00 18190 119.00 155609 171.00 141961

59.00 24948 96.00 12636 121.00 51755 173.00 14610

66.00 170477 97.00 13451 132.00 105264 204.00 3779

6
7

112a 1,1-difluorotetrachloroethane

synonyms: tetrachloro-l,l-difluoroethane; 2,2-diflorotetrachloroethane.

structure:

F CI

F—C-i-Cl

C. A. S. Registry Number: 76-11-9

Relative Molecular Mass: 203.83

Normal Boiling Point: 91.5 C

Melting Point: 40.6 °C

Critical Temperature: 279.2 °C*

Critical Pressure: 4.83 MPa*

Critical Density: 0.754 g/mL*

Density/Specific Gravity: 1.649 (20/4)

Refractive Index:

Vapor Density: > 1

FlashPoint: NA

PEL: NE

UEL: NA

TLV: 500 ppm

LEL: NA

Toxicology: Detailed toxicology not available; may be mildly irritating to eyes and skin; may

be narcotic.

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce HC1 and

HF; avoid contact with active metals and powdered metals such as Al, Zn, Be.

Solubilities: Somewhat soluble in alcohols, ether, chloroform and carbon tetrachloride;

negligible solubility in water.

9
Mass Spectrum:

a

(0o

CD a,

Oc

<

100.00

75.00 -

50.00 -

25.00 -

1 , 1 -difluorotetrachloroethane

47

35

49

50

85

82

78

66

87

1 1 7

119

103

121

167

169

1 32

146

o.oo 1

1 1 1 1 1 1 m 11 1 M 1 1 1 i'i 11 m rri 1 1 1

1

1 1 1 1 1 m 1 1 1

1 1

1

1

1

1 1 1 1 1

1

1 i'i ii 1 1 1 i'i'i'i 1 1 1 1 1 1 1

1

1 n 1 1 1 1 1 1 1

1 1 1 iVi 1 1 n i 0.00 20.00 40.00 60.00 80.00 100.00 120.00 140.00 160.00 180.00 Mass/Charge

m/e Abund. m/e Abund. m/e Abund. m/e Abund.

35.00 105264 50.00 36829 87.00 58572 121.00 101804

37.00 34524 59.00 9798 103.00 29795 132.00 57646

40.00 31814 66.00 22210 113.00 10607 146.00 29700

43.00 12644 78.00 38730 117.00 330929 167.00 421760

47.00 178274 82.00 125384 119.00 310191 169.00 409620

49.00 59407 85.00 188345

10
11

113 1,1, 2-trichlorotrifluoroethane

synonyms: l.l,2-trichloro-l,2,2-trifluoroethane; Ucon 113; Genetron 113; TTE;

trichlorotrifluoroethane; 1,2,2-trifluorotrichloroethane; 1,2,2-trifluoro- 1,1,2-trichloroethane.

structure: C. A. S. Registry Number: 76-13-1

Relative Molecular Mass: 187.38

CI CI

I I CI F

Normal Boiling Point: 47.6 C

Melting Point: -35.0 °C Density/Specific Gravity: 1.553 g/mL (30 °C)

Critical Temperature: 214.1 °C Refractive Index: 1.3557 (25 °C)

Critical Pressure: 3.42 MPa

Critical Density: 0.576 g/mL

Vapor Density: 2.9 PEL: 1000 ppm TLV: 1000 ppm

FlashPoint: nonflammable UEL: NE LEL: NE

Toxicology: Relatively low toxicity; anesthetic effect above 10 percent vol/vol air.

Reactivities and Chemical Incompatibilities: Relatively low reactivity; may form CO, CO2,

HF and phosgene upon thermal decomposition; avoid contact with alkali and alkaline earth

metals, and powdered metals such as Al, Zn, Be.

Solubilities: Soluble in alcohols, ether, benzene; H2O: 30 °C - 0.013 percent, 0 °C - 0.0036

percent by weight.

13
Mass Spectrum:

100.00

o

u

a,

O

C

cO X!G

P

<

75.00 -

50.00 -

25.00

0.00

50

I I I I 40.00

1 , 1 ,2-trichlorotrifluoroethane

66

85

78

a?

101

103

105

1 15

117

[ I

[ I I I I I I I I I

1

I I I I I I 1 I I

1

I I I I I I I I I |

I I I I I I I I I

1

1 '8

60.00 80.00 100.00 120.00 Mass/Charge

140.00

151 153

154

155

1 1 I 1 ] 160.00

m/e Abund.

50.00 118339

59.00 14712

62.00 16374

66.00 229929

68.00 72188

m/e Abund.

78.00 27733

85.00 382501

87.00 119944

101.00 613640

103.00 368834

m/e Abund.

105.00 58582

116.00 76500

117.00 25402

118.00 24071

132.00 16834

m/e Abund

.

134.00 10636

151.00 352973

153.00 224945

154.00 5860

155.00 35869

"(4
15

113a 1,1, 1-t richloro-2 , 2

, 2-trifluoroethane

synonyms: trichlorotrifluoroethane; precision cleaning agent; TF; T-WD602; CFE.

structure:

CI F

ci—A—A—

! I CI F

C. A. S. Registry Number: 354-58-5

Relative Molecular Mass: 187.58

Normal Boiling Point: 45.7 C

Melting Point: 14.2 °C

Critical Temperature: 209.2 °C*

Critical Pressure: 4.88 MPa*

Critical Density: 0.769 g/mL*

Density/Specific Gravity: 1.5792 (20/4)

Refractive Index: 1.3610, 1, (25 °C)

Vapor Density: NA PEL: 1000 ppm

Flash Point: will not flash UEL: NA

Autoignition temperature 680 C

TLV: 1000 ppm

LEL: NA

Toxicology: Overexposure can cause epinephrine sensitization of the heart; detailed

toxicology is not available.

Reactivities and Chemical Incompatibilities: Can produce HF and HC1 upon thermal

decomposition; avoid contact with active metals.

Solubilities: Somewhat soluble in alcohols, ether, chloroform, carbon tetrachloride; negligible

solubility in water.

17
Mass Spectrum:

100.00 -i

75.00 -

50.00

25.00 -

0.00

I i'i |'

| 40.00

1,1,1 -trichloro-2,2,2-trifluoroethane

47

- *2

49

50

69

66

59 62 68

82

7680

84 85

101

97

103

105

1 17

115

113

1 19

121

132

151

153

134

|'| I 1 I I 'I I I I I

|

I I' I I I I I I

' I

I 'I'I' I 1 I I I

' l'l'p I I II I I I I

1

I I I 60.00 80.00 100.00 120.00 140.00 Mass/Charge

155

I I

|

I I 160.00

m/e Abund.

43.00 33062

47.00 570736

49.00 183496

50.00 147848

59.00 10753

62.00 11309

66.00 159446

68.00 53140

m/e Abund.

69.00 477624

70.00 10712

78.00 35233

80.00 11636

82.00 308653

84.00 206507

85.00 187528

97.00 23714

m/e Abund.

101.00 382613

103.00 239631

105.00 37778

113.00 1214

116.00 86812

117.00 612060

119.00 583668

121.00 186697

m/e Abund.

132.00 41242

134.00 26817

151.00 1156075

153.00 740271

155.00 120312

167.00 40504

169.00 37527

18
19

114 1 , 2-dichlorotetrafluoroethane

synonyms: dichlorotetrafluoroethane; sym-dichlorotetrafluoroethane; Fluorane 114; Genetron

114; Genetron 316; Ledon 114; halocarbon 114; Frigen 114.

structure: C. A. S. Registry Number: 76-14-2

Relative Molecular Mass: 170.91

F F

H

Normal Boiling Point: 3.77 °C

Melting Point: -94 °C Density/Specific Gravity: 1.456 g/mL (25 °C)

Critical Temperature: 145.7 °C Refractive Index: 1.294 (25 °C)

Critical Pressure: 3.26 MPa

Critical Density: 0.582 g/mL

Vapor Density: 5.93 PEL: 1000 ppm TLV: 1000 ppm

Flash Point: does not flash UEL: NA LEL: NA

Toxicology: Moderate concentrations can cause nausea, dizziness, disorientation; narcotic at high concentrations.

Reactivities and Chemical Incompatibilities: May produce HC1, HF, CO, CO2 upon thermal

decomposition; avoid contact with active metals.

Solubilities: Somewhat soluble in carbon tetrachloride; H2O: 0.013 percent by weight, 25 °C.

21
Mass Spectrum:

1 ,2-dichlorotetrafluoroethane

85 100.00 -|

75.00 -

50.00 -

25.00 -

0.00

50

47 66 69 78

135

87

101 100 r03 116

118

137

151 153 172 M I I I I I I I

|

I I II I I II I |

I I MM II I |I III I I I I I

|

I I 1 I I I I I I |

I I I M I III |I I I I III I

I |

I II II I I I I | 20.00 40.00 60.00 80.00 100.00 120.00 140.00 160.00 180.00 Mass/Charge

m/e Abund.

31.00 1592218

35.00 546798

37.00 179379

40.00 33831

43.00 43291

47.00 231702

50.00 622180

je Abund.

51 .00 6965

62 .00 26121

66 .00 279293

69 00 292513

70 00 7406

78 00 20617

80 00 7133

ml_e Abund.

81 00 11410

85 00 2690774

87 00 826667

97 00 5612

100 00 210429

101 00 285587

103 00 167783

m/ e Abund.

116 00 51081

118 .00 15438

135 00 1079785

137 00 330475

151 00 63559

153 00 40479

172 00 209

22

1
1 14a 1 , 1-dichlorotetrafluoroethane

synonyms: dichlorotetrafluoroethane; l,l-dichloro-l,2,2,2-tetrafluoroethane.

structure: C. A. S. Registry Number: 374-07-2

Relative Molecular Mass: 170.92

CI F

I I CI F

Normal Boiling Point: 3.6 °C

Melting Point: -94 °C Density/Specific Gravity: 1.440 g/mL, 1, (30 °C)

Critical Temperature: 145.7 °C* Refractive Index: 1.3092 (0 °C)

Critical Pressure: 4.92 MPa*

Critical Density: 0.820 g/mL*

Vapor Density: >1 PEL: NE TLV: NE

Flash Point: does not flash UEL: NA LEL: NA

Toxicology: May cause skin, eye and pulmonary irritation; may have anesthetic properties

at high concentrations; narcotic at high concentrations; may aggravate existing heart

conditions.

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce HC1, HF,

CO, CO2; avoid contact with active metals; reacts violently with aluminum.

Solubilities: Somewhat soluble in alcohol, benezene, chloroform, ether, carbon tetrachloride.

25
Mass Spectrum:

100.00 -i

<U 75.00 - o

u

o

a*

<vO 50.00 - c

COC

25.00 - <

0.00

1 , 1 -dichlorotetrafluoroethane

135

47

43

I

50

43

69

66

62

I I I I I M II | II III II I I

| ll 20.00 40.00 60.00

68

85

82

70 78

87

101

97

103

05 116

118

37

151

155 170 172

I I I I

|

I III Mill | III I I I I I I |I I I I I I III |I I I I II I I I

|

I I I II I I I I

| 80.00 100.00 120.00 140.00 160.00 180.00 Mass/Charge

m/e Abund. m/e Abund

m/e Abund. m/e Abund.

31.00 1839593 58.00 14908 82.00 106438 118.00 30177

35.00 647040 59.00 16452 85.00 1260452 135.00 1785336

37.00 200755 62.00 23950 87.00 400905 137.00 544151

40.00 29807 66.00 522614 97.00 11749 151.00 145633

43.00 52066 68.00 190189 101.00 1443151 153.00 94913

47.00 438884 69.00 1243685 103.00 873288 155.00 14444

49.00 150233 70.00 21439 105.00 138543 170.00 1364

50.00 3955528 78.00 23253 116.00 96936 172.00 687

26
27

115 chloropentafluoroethane

synonyms: monochloropentafluoroethane; Genetron 115.

structure:

F F

I I CI—C—C—

I I F F

C. A. S. Registry Number: 76-15-3

Relative Molecular Mass: 154.47

Normal Boiling Point: -38.7 °C

Melting Point: -106 °C

Critical Temperature: 79.9 °C

Critical Pressure: 3.12 MPa

Critical Density: 0.596 g/mL

Density/Specific Gravity: 1.26 g/mL, 1, (30 °C)

Refractive Index: 1.221 (25 °C)

Vapor Density: 8.37 (at boiling point)

TLV: 1000 ppm

Flash Point: nonflammable

PEL: NE

UEL: NA LEL: NA

Toxicology: Anesthetic at high concentrations, prolonged exposure results in

unconsciousness.

Reactivities and Chemical Incompatibilities: Thermal decomposition can form HC1, HF;

avoid contact with active metals and powdered metals such as Al, Zn, Be.

Solubilities: Somewhat soluble in alcohols, ether, and carbon tetrachloride; H2O: 0.006

percent at 25 °C.

29
Mass Spectrum:

100.00 -|

75.00 -

50.00 -

25.00 -

0.00

35 37

.40

chloropentafluoroethane

85

69

50

i i i i i i i i T| i n

r

20.00 40.00

h6

I I I I

|

1 I 60.00

110 119

87

100

I I I I I I

| I I I I I I I I I

|

I I 80.00 100.00

135

137

I I I I I I

|

I I I I I I I I I

| 120.00 140.00 Mass/Charge

m/e Abund.

35.00 99578

37.00 31821

40.00 48138

44.00 7486

m/e Abund.

47.00 46202

49.00 11502

50.00 302875

66.00 62016

m/e Abund

.

69.00 1024291

85.00 1532034

87.00 475927

100.00 56216

m/e Abund

.

119.00 836391

135.00 464217

137.00 148434

30
•C •* r%

31

1 16 hexafluoroethane

synonyms: perfluoroethane; UN 2193.

structure: C. A. S. Registry Number: 76-16-4

Relative Molecular Mass: 138.01

I I F F

Normal Boiling Point: 78.19 °C

Melting Point: -100.06 °C Density/Specific Gravity:

Critical Temperature: 19.89 °C Refractive Index:

Critical Pressure: 3.042 MPa

Critical Density: 0.622 g/mL3

Toxicology: Can produce light-headedness, shortness of breath; moderate symptoms of

intoxication are observed in rats; simple asphyxiant.

Reactivities and Chemical Incompatibilities: Forms toxic fumes at high temperatures; avoid

contact with active metals, alkali or alkaline earth metals, and powdered metals such as Al,

Zn, and Be.

Solubilities: Very low solubility in water; slightly soluble in carbon tetrachloride and some

alcohols.

Vapor Density: NA PEL: N/E TLV: N/E

Flash Point: does not flash UEL: N/A LEL: N/A

33
Mass Spectrum:

hexafluoroethane

69 100.00 -|

G

<1> 75.00 O

t- a,

O 50.00 a

(0a^ 25.00

0.00

40 50

I I I I I I 20.00I I I

[ i I i I 40.00

I I I i

|

I I 60.00

119

70 100

I I I I |I I I I I I I I I |

I I I I I I I I I

'20

|

I I I I I I 80.00 100.00 Mass/Charge

120.00 140.00

m/e Abund.

31.00 140890

40.00 57697

m/e Abund.

50.00 81143

69.00 885750

m/e Abund.

70.00 9063

100.00 4450

m/e Abund

119.00 433906

120.00 9488

34


121 1,1,2, 2-t etrachlorofluoroethane

synonyms: tetrachlorofluoroethane; tetrachloromonofluoroethane;

monofluorotetrachloroethane.

structure: C. A. S. Registry Number: 354-14-3

Relative Molecular Mass: 185.8

CI CI

u

Normal Boiling Point: 116.6 °C

Melting Point: -82.6 °C Density/Specific Gravity: 1.622 (20/4)

Critical Temperature: 321.5 °C* Refractive Index:

Critical Pressure: 4.45 MPa*

Critical Density: 0.613 g/mL*

Vapor Density: >1 PEL: NE TLV: NE

FlashPoint: NA UEL: NA LEL: NA

Toxicology: May be anesthetic at high concentrations; detailed toxicology not available.

Reactivities and Chemical Incompatibilities: May form HC1 and HF on thermal

decomposition, as well as CO, CO2; avoid contact with active metals.

Solubilities: Somewhat soluble in carbon tetrachloride; negligible solubility in water.

37
Mass Spectrum:

1 , 1 ,2,2— tetrachlorofluoroethane

101 100.00 -i

75.00 -

83

50.00

25.00 -

60

0.00

79

88 78 81

85

103

149

151

114

f!05

40.00 60.00 80.00

|

I I I I I I I I I I'l' l 'l I I I

116 I 53

184 186

100.00

I

I II I I II I II I

I I I I II I I I I II I I I I I II I

I I I I II M I I 120.00 140.00 160.00 180.00 200.00

Mass/Charge

ra/e Abiind.

60.00 26145

66.00 121116

78.00 18226

79.00 33096

81.00 10894

m/e Abund

.

83.00 168634

85.00 107718

101.00 239289

103.00 146410

m/e Abund.

105.00 23596

114.00 53413

116.00 34344

149.00 106654

m/e Abund.

151.00 103044

153.00 32936

184.00 8015

186.00 10159

38
39
40
122 1 , 1-difluoro-l , 2 , 2-trichloroethane

synonyms: 1 , 1-difluoro-l ,2,2-trichloroethane.

structure:

CI CI

F—C—C—CI

I I F H

C. A. S. Registry Number: 354-21-2

Relative Molecular Mass: 169.5

Normal Boiling Point: 72 °C

Melting Point: NA

Critical Temperature: 252.8 °C*

Critical Pressure: 4.48 MPa*

Critical Density: 0.610* g/mL

Density/Specific Gravity: 1.559 (25/4)

Refractive Index:

Vapor Density: NA

FlashPoint: NA

PEL: NE

UEL: NA

TLV: NE

LEL: NA

Toxicology: Possible skin and eye irritant; possible pulmonary irritant; detailed toxicology

not available.

Reactivities and Chemical Incompatibilities: May form HC1, and HF upon thermal

decomposition; avoid contact with alkali and alkaline earth metals and powdered metals

such as Zn, Al, Be.

Solubilities: Somewhat soluble in carbon tetrachloride; minimal solubility in water.

41
Mass Spectrum:

1 , 1 -difluoro- 1 ,2,2-trichloroethane

83 100.00

75.00

50.00 -

25.00 -

50

48 67 63 0.00 III I I I I I T

65.00

I I I I I I

85

87

98

100

133

135

1 14

1 I

|

I I I I I II I I

|

I I I II I I I I |

I I I 85.00 105.00 125.00 Mass/Charge

137 1 49 168

< 70

45.00

I I I |I I I I I I I I I

i

I I i I i 145.00 165.00

m/e Abund

49.00 52367

50.00 92858

60.00 23502

63.00 31549

67.00 84007

69.00 27224

m/e Abund.

78.00 26596

79.00 29558

83.00 926053

85.00 777516

86.00 13478

87.00 151057

m/e Abund.

97.00 19500

98.00 124261

100.00 39556

114.00 29273

116.00 18785

133.00 193121

m/e Abund.

135.00 122450

137.00 18524

149.00 12590

151.00 11894

168.00 31434

170.00 29153

42
5 x £

43

123 2 , 2-dichloro-l , 1 , 1-trifluoroethane

synonyms: dichlorotrifluoroethane.

structure: C. A. S. Registry Number: 306-83-2

Relative Molecular Mass: 152.93

F CI

F—C—C—CI

F H

Normal Boiling Point: 27.9 °C

Melting Point: -107 °C Density/Specific Gravity: 1.475 (15/4)

Critical Temperature: 183.8 °C Refractive Index: 1.329 (25 °C)

Critical Pressure: 3.674 MPa

Critical Density: 0.550 g/mL

Vapor Density: 4.1-6.5 PEL: 1000 ppm TLV: 1000 ppm

Flash Point: does not flash UEL: NA LEL: NA

Toxicology: Mild eye irritant; anesthetic at high concentrations; possible pulmonary

irritant; detailed toxicology is not available.

Reactivities and Chemical Incompatibilities: May form HC1, HF, CO, CO2 upon thermal

decomposition; avoid contact with active metals.

Solubilities: Soluble in alcohols, chloroform ether, carbon tetrachloride; H2O: 0.39 percent

(24 °C).

45
Mass Spectrum:

100.00 -i

75.00 -

50.00 -

25.00 -

2,2 — dichloro- 1,1. 1 -trifluoroe thane

S3

69

48 47

- 43

50

51

63 66

1641 78

85

87 98

971IOO

133

135

117

101 116 119 137

152

153

I

'

I I '

I

'

I

' I I I I

|

I

'

I I I ' I I I I I

| I I I I I I I I I |

'

I I I I I I I I 'I '| I I I I I I I I I |

I I I I I I I I I | 40.00 60.00 80.00 100.00 120.00 140.00 160.00 Mass/Charge

m/e Abund.

31.00 531703

35.00 445542

37.00 140426

43.00 33113

44.00 107085

47.00 281832

48.00 341514

49.00 103705

m/e Abund

.

50.00 253033

51.00 124596

63.00 36789

64.00 1375

66.00 40100

67.00 275713

69.00 497228

78.00 13305

m/e Abund.

83.00 1243984

85.00 811732

87.00 129820

97.00 22010

98.00 73925

100.00 23523

101.00 10857

116.00 7868

m/e Abund

.

117.00 41291

119.00 12539

133.00 171812

135.00 109458

137.00 16436

152.00 71285

153.00 1293

46


123a 1 , 2-dichlorotrifluoroethane

synonyms: 1,2 dichloro-l,l,2-trifluoroethane.

structure:

CI CI

I I F—C—C—

I I F F

C. A. S. Registry Number: 354-23-4

Relative Molecular Mass: 152.93

Normal Boiling Point: 28 C

Melting Point: -78 °C

Critical Temperature: 185.2 °C*

Critical Pressure: 4.47 MPa*

Critical Density: 0.627*

Density/Specific Gravity: 1.5 g/mL (0 °C)

Refractive Index:

Vapor Density: NE

Flash Point: NE

PEL: NE

UEL: NE

TLV: NE

LEL: NE

Toxicology: Possible pulmonary irritant; detailed toxicology is not available.

Reactivities and Chemical Incompatibilities: Thermal decomposition may produce HC1 and

HF; avoid contact with active metals.

Solubilities: Somewhat soluble in carbon tetrachloride.

49
Mass Spectrum:

1 ,2-dichlorotrifluoroethane

67 100.00

75.00

50.00 -

25.00 -

51

0.00

63

117

85

69

82

i83l

I I I I I I I I I

| I I i i i i i i i|

i i I i i i i i i

|

87

98

,101 103

1 19

133

.135 152

1153

20.00 40.00 60.00 80.00 100.00 Mass/Charge

in i i i i i i ii i i i i i ii |

i i i i i in i

i i i i i i i i i i

i 120.00 140.00 160.00

m/e AbmicL

31.00 546412

35.00 186693

37.00 59320

40.00 39523

43.00 22577

50.00 105153

e Abund.

51 00 202665

62 00 17244

63 00 35621

67 00 1362707

69 00 428264

82 00 107958

ii e Abund.

83 00 88833

85 00 481331

87 00 143040

98 00 41561

101 00 22795

103 00 13426

m/e Abund

.

117.00 653807

119.00 204167

133.00 25247

135.00 15896

152.00 38285

153.00 496

50
51

1 24 2-chloro-l ,1,1, 2-tetrafluoroethane

synonyms: monochloro-1 ,1,1 ,2-tetrafluoroethane; monochloro-1 ,2,2,2-tetrafluoroethane;

1,1, 1 ,2-tetrafluoro-2-chloroethane.

structure: C. A. S. Registry Number: 2837-89-0

Relative Molecular Mass: 136.48

F F

Normal Boiling Point: -12.1 °C

Melting Point: -199 °C Density/Specific Gravity: 1.472 g/mL, 1, (-12.1 °C)

Critical Temperature: 122.5 °C Refractive Index:

Critical Pressure: 3.63 MPa

Critical Density: 0.560 g/mL

Vapor Density: >1 PEL: NE TLV: NE

FlashPoint: does not flash UEL: NA LEL: NA

Toxicology: Low acute toxicity; moderate cardiac sensitizer; mild anesthetic at high

concentrations; detailed toxicology is not available.

Reactivities and Chemical Incompatibilities: Thermal decomposition may form HC1, HF,

CO, CO2, phosgene; avoid contact with active metals and powdered metals such as Al, Zn,

Be.

Solubilities: Relatively high solubility in water (17.1 g/L, ambient T & P).

53
Mass Spectrum:

2-chloro- 1 , 1 , 1,2-tetrafluoroethane

67 100.00 -i

75.00 -

50.00 -

25.00 -

0.00

51

50

37

48 43 47,

I I I I 1 II I

63

69

101

82

I I I I I I I I I |

I I I I I

117

119 136

I I I I I I I I I |I I I I I I I I I | I I 30.00 50.00 70.00 90.00 Mass/Charge

110.00 130.00

m/e Abiind.

31.00 1650544

37.00 111108

43.00 51968

47.00 173772

m/e Abund.

48.00 202006

50.00 439136

51.00 1780096

63.00 46302

m/e Abund.

67.00 3402368

69.00 961344

82.00 141474

101.00 1344000

m/e Abund.

117.00 527536

118.00 18915

119.00 159344

136.00 99452

54
55

125 pentafluoroethane

synonyms:

structure: C. A. S. Registry Number: 354-33-6

Relative Molecular Mass: 120.02

F F—

H

Normal Boiling Point: -48.5 °C

Melting Point: -103 °C Density/Specific Gravity: 1.515 g/mL, 1 (-48.5 C)

Critical Temperature: 68.3 °C Refractive Index:

Critical Pressure: 3.631 MPa

Critical Density: 0.572 g/mL

Toxicology: Can cause headache and nausea, giddiness, and unconsciousness at higher

concentrations.

Reactivities and Chemical Incompatibilities: Can form HF, CO, CO2 upon thermal

decomposition; avoid contact with active metals.

Solubilities: Negligible solubility in H2O; slightly soluble in carbon tetrachloride.

Vapor Density: > 1 PEL: NA TLV: NA

FlashPoint: NA UEL: NE LEL: NE

57
Mass Spectrum:

pentafluoro ethane

5! 100.00 -i

75.00 -

50.00 -

25.00 -

50

0.00

43

44

20.00

i i i

|

i i i r 40.00

101

82

69

'02 H9

I I | I I I I I I I I I

| 60.00 80.00 Mass/Charge

i i i i i i 1—fill—

r

100.00 T-n120.00

m/e Abund. m/e Abund. m/e Abund. m/e Abund.

31.00 521810 44.00 29973 52.00 28854 101.00 1473472

41.00 28605 50.00 192299 69.00 613397 102.00 30722

43.00 13288 51.00 2758549 82.00 8752 119.00 28523

58
59

131 1,1, 2-t richloro-2-fluoroethane

synonyms: 1 , 1 ,2-trichlorofluoroethane.

structure:

C! CI

H—A—C—

! I CI F

C. A. S. Registry Number: NA

Relative Molecular Mass: 151.35

Density/Specific Gravity: 1.5497 (17/4)

Refractive Index:

Normal Boiling Point: 102.5 C

Melting Point: NA

Critical Temperature: 312.5 °C*

Critical Pressure: 5.1 MPa*

Critical Density: 0.591 g/mL*

Vapor Density: > 1

FlashPoint: NA

PEL: NE

UEL: NA

TLV: NE

LEL: NA

Toxicology: Detailed toxicology is not available; may cause irritation of skin, eyes, and upper

respiratory tract; dizziness, weakness, fatigue, nausea, headache.

Reactivities and Chemical Incompatibilities: Can form HC1, HF, CO, CO2, and phosgene

upon thermal decomposition; avoid contact with alkali and powdered metals.

Solubilities: Somewhat soluble in carbon tetrachloride; negligible solubility in water.

61
Mass Spectrum:

100.00 -i

1 , 1 ,2-trichloro — 2-fluoroethane

63

75.00

50.00 -

85

67

25.00 - 45

).0040.00

4 7 69

49

6 3

87

95

1 15

81 97 117

99 131 150

I I I I

| I I

I I I I I I I

I

I I I I I I I I I

|

I I I I I I I I I [ I I I I I

' I I I I

|

I I I 60.00 80.00 100.00 120.00 Mass/Charge

140.00 160.00

m/e Abund.

31.00 277130

35.00 584668

37.00 185605

44.00 419870

45.00 513804

47.00 294875

48.00 211715

49.00 180812

m/e Abund.

50.00 67590

63.00 35983

67.00 719425

69.00 229482

70.00 22070

79.00 528058

80.00 248903

81.00 176685

m/e Abund.

83.00 2423931

85.00 1518438

87.00 233005

95.00 296705

97.00 186407

98.00 22827

99.00 29754

m/e Abund.

114.00 305018

115.00 344721

116.00 203456

117.00 208769

118.00 34627

131.00 11946

150.00 117540

62
63

131a 1,1, 2-t richloro-l-fluoroethane

synonyms: trichlorofluoroethane.

structure:

F CI

ci—i—i—h

I I CI H

C. A. S. Registry Number: 811-95-0

Relati ve Molecular Mass: 151.39

Normal Boiling Point: 88 C

Melting Point: -104.7 °C

Critical Temperature: 284.4 °C*

Critical Pressure: 5.0 MPa*

Critical Density: 0.582 g/mL*

Density/Specific Gravity: 1.4921 (20 °C)

Refractive Index:

Vapor Density: > 1

FlashPoint: NA

PEL: NE

UEL: NA

TLV: NE

LEL: NA

Toxicology: Detailed toxicology is not available; however, E.I. du Pont de Nemours k Co.

reported testicular cancer is produced in rats upon exposure to all concentrations tested.

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce HF, HC1,

CO, CO2; avoid contact with active metals and strong bases.

Solubilities: Somewhat soluble in carbon tetrachloride.

65
Mass Spectrum:

100.00 —

i

75.00 -

50.00 -

25.00 -

0.00

1 , 1 ,2-trichloro- 1 -fluoroe thane

147

149

113

47

78

49

82 80 84

I I I I I I I I I

| I I I I I I I I 40.00 60.00 80.00

115

I I I I I I I

|

I I I I I I I I I

|

I I I I I I I I I

|

I

151

152

100.00 Mass/Charge140.00

I I i | 160.00

m/e Abund.

31.00 29208

35.00 24608

47.00 48928

49.00 15122

m/e Abund.

78.00 40352

80.00 14203

82.00 23780

m/e Abund.

84.00 13746

113.00 105968

147.00 151936

m/e Ab m<

!

149.00 147840

151.00 45104

152.00 1717

66
67

132b 1 , 2-dichloro-l , 1-difluoroethane

synonyms: dichlorodifluoroethane.

structure:

CI CI

F—A—C—

I I F H

C. A. S. Registry Number: 1649-08-7

Relative Molecular Mass: 134.94

Normal Boiling Point: 46.8 C

Melting Point: -101.2 °C

Critical Temperature: 220 °C*

Critical Pressure: 4.9 MPa*

Critical Density: 0.594*

Density/Specific Gravity:

Refractive Index: 1.36193 (20)

Vapor Density: >1

FlashPoint: NA

PEL: NE

UEL: NA

TLV: NE

LEL: NA

Toxicology: Reproductive effector; possible pulmonary irritant.

Reactivities and Chemical Incompatibilities: May form HC1, HF, CO, CO2 upon thermal

decomposition; avoid contact with active metals.

Solubilities: Somewhat soluble in carbon tetrachloride; negligible solubility in water.

69
Mass Spectrum:

100.00 -i

CDu

u

o

Cu

CD

CDG

COc

0

75.00

50.00

25.00 -

0.00

49

51 50

1 ,2-dichloro - 1 , 1 -difluoroe thane

99

64

63

60

40.00 T-1—i—

79 65

I I I I

81 87

101

115 117 1 34

60.00

I | I I I I I I I I I | I I I I I ! Ill |I I I I 80.00 100.00 Mass/Charge

120.00 140.0

ra/e Abund.

31.00 332457

35.00 220767

44.00 236603

45.00 161386

47.00 105205

48.00 108645

m/e Abund.

49.00 741609

50.00 107049

51.00 236227

60.00 33142

63.00 101186

64.00 194129

m/e Abund.

69.00 14741

79.00 418215

81.00 133853

85.00 428624

87.00 136165

m/e Abund.

99.00 2141678

101.00 678899

115.00 41931

117.00 26799

134.00 65453

70
71

133a 2,2, 2-trifluoroethyl chloride

synonyms: 2-chloro-l , 1 , 1-trifluoroethane.

structure:

H F

CI—C—C—

F

I I H F

C. A. S. Registry Number: 75-88-7

Relative Molecular Mass: 118.49

Normal Boiling Point: 6.93 C

Melting Point: -105.5 °C

Critical Temperature: 162.5 °C*

Critical Pressure: 4.94 MPa*

Critical Density: 0.604*

Density/Specific Gravity: 1.389 (0/4)

Refractive Index: 1.3090

Vapor Density: > 1

FlashPoint: NA

PEL: NE

UEL: NA

TLV: NE

LEL: NA

Toxicology: Detailed toxicology is not available; possible carcinogen.

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce HC1 and

HF; avoid contact with active metals.

Solubilities: Somewhat soluble in carbon tetrachloride.

73
Mass Spectrum:

a

0)o

(h cu

(DO

c

COc

100.00

75.00

50.00 -

25.00 -

0.00

44

2,2,2-trifluoroethyl chloride

49

51 50

83

69

63 64

67

79

99

84

85

101

118

120

i—I—i—ill—i—i—i—

|

rn—iii—i—i—i— —i I i—i—i—i—i—i—i |i—i—i—i—i—i—i—i— —i—i—i—i—

40.00 60.00 80.00 100.00 120.00 Mass/Charge

m/e Abiind.

31.00 757396

33.00 1260273

35.00 301914

44.00 247664

47.00 166560

48.00 188401

m/e Abmd.

49.00 792577

50.00 273361

51.00 349262

63.00 257015

64.00 265408

67.00 115192

m/e Abund

69.00 630666

79.00 257417

83.00 1384521

84.00 29094

85.00 10489

m/e Abund

99.00 457382

101.00 147814

118.00 1448220

119.00 10772

120.00 468152

74
75

134 1,1,2, 2-t etrafluoroethane

synonyms: tetrafluoroethane; sym-tetrafluoroethane.

structure:

H

F F

44-

i i F F

II

C. A. S. Registry Number: 359-35-3

Relative Molecular Mass: 102.04

Normal Boiling Point: -23 C

Melting Point: -89 °C

Critical Temperature: 1 1 8 . 5

0

C

Critical Pressure: 4.615 MPa*

Critical Density: 0.542 g/mL*

Density/Specific Gravity:

Refractive Index:

Vapor Density: > 1

FlashPoint: <-17 C

PEL: NE

UEL: NA

TLV: NE

LEL: NA

Toxicology: May aggravate existing heart conditions; detailed toxicology is not available.

Reactivities and Chemical Incompatibilities: May produce HF and F" upon thermal

decomposition.

Solubilities: Slightly soluble in carbon tetrachloride; negligible solubility in water.

77
Mass Spectrum:

100.00 —

i

CDo

o

cuo

c

COc

75.00 -

50.00

25.00 -

0.00

1 ,

1

,2,2 — tetrafluoroethane

51

33

32

31

40 44

43

1

i—i—i—i—

r

i—i—

r

T

83

63

64

82

20.00 40.00

i—i—rn—i—i—i—

|—ri—r~i—i—i—i—i—i—

p

84

101

102 t i i i i i r i—

i

60.00 Mass/Charge80.00 100.00

m/e Abund

.

31.00 789663

32.00 860528

33.00 1938322

40.00 60369

m/e Abund.

43.00 25892

44.00 102894

45.00 24955

51.00 3143958

m/e Abund.

63.00 262266

64.00 27276

82.00 218148

83.00 2385287

m/e Abund.

84.00 48248

101.00 232335

102.00 73032

78


134a 1,1,1, 2-tetrafluoroethane

synonyms: tetrafluoroethane.

structure: C. A. S. Registry Number: 811-97-2

Relative Molecular Mass: 102.03

F H

F—A—A—

I I F H

Normal Boiling Point: -26.5 °C

Melting Point: -101 °C Density/Specific Gravity: 1.21 g/mL, 1, (25 °C)

Critical Temperature: 101.06 °C Refractive Index:

Critical Pressure: 4.06 MPa

Critical Density: 0.515 g/mL

Vapor Density: 3.18 PEL: NE TLV: NE

Flash Point: does not flash UEL: none LEL: none

Toxicology: Inhalation of low to moderate concentrations can cause cardiac irregularities;

higher concentrations cause pulmonary edema and congestion.

Reactivities and Chemical Incompatibilities: Thermal decomposition can form HF, possibly

COF2; avoid contact with alkali and alkaline earth metals and powdered metals, especially

Al, Zn, Be.

Solubilities: H2O: 25 °C - 0.15 percent by weight; slightly soluble in ether and carbon

tetrachloride.

81
Mass Spectrum:

1,1, 1 ,2-tetrafluoroethane

33 100.00 -i

cV 75.00 O

CD

6

O 50.00

COC^ 25.00

83

69

40

51

50

0.00 -m—i—

63

82

i—i—Ti—i—i—i—i—rn—ir~[—i—i—i—i—

84 102

30.00 50.00 70.00 Mass/Charge

i—i—

|—i—i—i—i—i—i—i—i—i—

90.00 110.00

m/e Abiind.

31.00 462057

32.00 444370

33.00 2514404

34.00 27386

m/e Abund

40.00 40796

43.00 19631

44.00 62144

45.00 11566

m/e Abund.

50.00 103527

51.00 340789

63.00 179853

69.00 1423314

m/e Abund

82.00 113162

83.00 1595574

84.00 35244

102.00 24852

82


141 1,2-dichloro-l-fluoroethane

synonyms: dichlorofluoroethane.

structure:

CI CI

F—i-C-H

I I H H

C. A. S. Registry Number: 25167-88-8

Relative Molecular Mass: 116.95

Normal Boiling Point: 76 C

Melting Point: -6 °C

Critical Temperature: 269.1 °C*

Critical Pressure: 4.40 MPa*

Critical Density: 0.444 g/mL*

Density/Specific Gravity: 1.3814 (20/4)

Refractive Index: 1.41132, 1 (20 °C)

Vapor Density: > 1

Flash Point: NA

PEL: NE

UEL: NA

TLV: NE

LEL: NA

Toxicology: Detailed toxicology is not available; may cause eye and pulmonary irritation.

Reactivities and Chemical Incompatibilities: Thermal decomposition may produce HF, HC1,

CO, CO2; avoid contact with active metals.

Solubilities: Somewhat soluble in carbon tetrachloride; negligible solubility in water.

85
Mass Spectrum:

100.00 —

0> 75.00 o

a,

<3) O

d

<!

50.00 -

25.00 -

0.00

1 ,2-dichloro- 1 —fluoroethane

45

i 2

46 5!

67

8 I

63

AS

Si

80

B2 116

SIT

118

1 1 1 1 1 1 1 1

1

1 1 1 1 1 1 1 1 1

1

1 1 1 1 1 1 1 1 1

1

1 1 1 1 1 1 m 1

1

1 1 1 1 1 1 1 1 1

1

1 1 1 1 1 1 1 1 1

1 1 1 1 1 1 n 1 1 1

1 1 1 1 ii 1 1 1

1

1 1 n 1 1 1 1 1

1

30.00 40.00 50.00 60.00 70.00 80.00 90.00 100.00 110.00 120.00 Mass/Charge

e A bund ... /e Ahmad

ii e A bund

m/e Abimd

35 00 145275 49.00 183369 67 00 501977 83.00 260501

37 00 49666 51 00 53304 69 00 161052 97.00 11527

44 00 125414 60.00 48264 80 00 321364 116.00 80179

45 00 500620 61.00 319204 81 00 805626 118.00 48422

46 00 95629 63.00 103849 82 00 125865

86


141b 1,1-dichloro-l-fluoroethane

synonyms: fluorodichloroethane; l-fluoro-l,l-dichloroethane.

structure:

CI H

P-UI I CI H

H

C. A. S. Registry Number: 1717-00-6

Relative Molecular Mass: 116.95

Normal Boiling Point: 32 C

Melting Point: -103.3 °C

Critical Temperature: 210.3 °C

Critical Pressure: 4.64 MPa

Critical Density: 0.43 g/mL

Density/Specific Gravity: 1.25 g/mL (10 °C)

Refractive Index: 1.3600 (10 °C)

Vapor Density: 4.0

FlashPoint: NA

PEL: NA

UEL: 16%

TLV: NA

LEL: 7%

Toxicology: Mildly irritating to the eyes; can cause irregular heartbeat; simple asphyxiant;

detailed toxicology is not available.

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce HC1, HF,

CO, CO2; avoid contact with active metals.

Solubilities: Slightly soluble in H2O (slight tendency to hydrolyze).

89
Mass Spectrum:

1 , 1 — dichloro- 1 -fluoroethane

100.00

75.00 -

50.00 -

25.00

81

0.00

45

I I I I 40.00

61

4 6 60

59 ,

I I I

| I I I I I I I I I

6 J

1,8 78

50.00 60.00

i i

|

I i i i 70.00

83

82

80.00

101

97

I I I I

| I I 90.00

103

105

Mass/Charge

i i i i i

i 100.00

I 1 I I

I 110.00

m/e Abund

35.00 636743

36.00 137182

37.00 205144

44.00 498138

45.00 1727198

46.00 220976

m/e Abund

59.00 36381

60.00 167951

61.00 1133645

63.00 371436

66.00 76016

68.00 25228

Abund

78.00 15514

79.00 83721

81.00 3984809

82.00 184096

83.00 1298004

m/e Abund.

84.00 42659

97.00 15520

101.00 295805

103.00 181225

105.00 29165

90
91

142b 1-chloro-l , 1-difluoroethane

synonyms: difluoromonochloroethane; a-chloroethylidene fluoride.

structure: C. A. S. Registry Number: 75-68-3

Relative Molecular Mass: 100.50

F H

CI—C—C—

F H

Normal Boiling Point: -9.2 °C

Melting Point: -130.8 °C Density/Specific Gravity: 1.118 g/mL, 1, (21 °C)

Critical Temperature: 137.1 °C Refractive Index:

Critical Pressure: 4.12 MPa

Critical Density: 0.435 g/mL

Vapor Density: 3.7 PEL: NA TLV: NA

FlashPoint: flashes with difficulty UEL: 14.8 LEL: 9

Auto ignition temperature 632 C

Toxicology: Simple asphyxiant; irritant to lungs; detailed toxicology is not available.

Reactivities and Chemical Incompatibilities: Thermal decomposition may form HC1, HF,

CO, CO2; avoid contact with alkali and alkaline earth metals, powdered metals such as Al,

Zn, Be.

Solubilities: H2O: 0.14 percent at 21 °C; somewhat soluble in carbon tetrachloride.

93
Mass Spectrum:

100.00 —

a

V 75.00 a

u

0) Ph

O 50.00 - c

a^ 25.00 -

0.00

1 — chloro— 1, 1 -difluoroethane

45

44

43

I I I I I I I I I

I

I I 30.00 40.00

46 50

65

64

61 63

I I I

| I I I I I I I I I| I I 50.00 60.00

66

85

79 80 ,81 87

98 99

70.00 Mass/Charge

1 1 i

I i i i i i i i i i |

i i i i i i i i i

1

1 i i i i i i i i

| 80.00 90.00 100.00

m/e Abund. m/e Abund ., m/e Abund. m/e Abund

.

35.00 295740 50.00 113014 66.00 127757 85.00 470406

43.00 43505 61.00 139504 79.00 25955 87.00 149087

44.00 606649 63.00 166684 80.00 25668 98.00 2635

45.00 1632008 65.00 3926336 81.00 149847 99.00 2858

46.00 102755

94


143 1,1, 2-trifluoroethane

synonyms: trifluoroethane.

structure:

F H

I I H—C—C—

I I F H

C. A. S. Registry Number: 430-66-0

Relative Molecular Mass: 84.04

Normal Boiling Point: 5 C

Melting Point: -84 °C

Critical Temperature: 71.2 °C

Critical Pressure: 4.05 MPa*

Critical Density: 0.420 g/mL*

Density/Specific Gravity:

Refractive Index:

Vapor Density: NA

Flash Point: NE

PEL: NE

UEL: NE

TLV: NE

LEL: NE

Toxicology: Detailed toxicology is not available.

Reactivities and Chemical Incompatibilities: May form HF, CO, CO2 upon thermal

decomposition; avoid contact with active metals

,

Solubilities: Slightly soluble in ether, chloroform and carbon tetrachloride; negligible

solubility in H2O.

97
Mass Spectrum:

1 , 1,2 — trifluoroethane

51 100.00 -|

75.00 -

50.00

25.00 -

0.00

33 45

3132

I I I I 20.00

34 40

44

43

30.00

I I I M I

I U

40.00

4 6

65

64

63

I I I

|

I I I I I I I I I

| I I I 50.00 60.00 Mass/Charge

83

62 i

84

I I I I

|

I I I I I I I I I

|

I I 70.00 80.00I I I I I

| 90.00

m/e Abund.

31.00 525936

32.00 605102

33.00 1153563

34.00 14318

40.00 52499

m/e Abund.

43.00 20276

44.00 182810

45.00 1237688

46.00 45308

m/e Abund.

51.00 2763601

52.00 32107

63.00 101080

64.00 270461

m/e Abund

.

65.00 700536

82.00 42250

83.00 107193

84.00 148307

98


143a 1 , 1, 1-trifluoroethane

synonyms: trifluoroethane.

structure: C. A. S. Registry Number: 420-46-2

Relative Molecular Mass: 84.04

F H

Normal Boiling Point: -47.35 °C

Melting Point: -111.3 °C Density/Specific Gravity: 0.942 g/mL, 1, (30 °C)

Critical Temperature: 73.1 °C Refractive Index:

Critical Pressure: 3.811 MPa

Critical Density: 0.434 g/mL

Vapor Density: NA PEL: NA TLV: NA

FlashPoint: NA UEL: NA LEL: NA

Toxicology: Detailed toxicology is not available, but may be similar to other

chlorofluoroethanes.

Reactivities and Chemical Incompatibilities: Details of reactivities are not known, but may

be similar to other chlorofluoroethanes.

Solubilities: Soluble in ether, chloroform; negligible solubility in H2O.

101
Mass Spectrum:

1,1,1 — trif luoroethane

100.00 —

i

75.00 -

0>O 50.00

25.00 -

0.00

33 45

40

I I I I I I I I I |I I I 30.00 40.00

50 51

69

65

64

I I I I |I I I I I I I I I |I I I 50.00 60.00

70 83 84

I I I I I I I I I |

I 70.00 80.00 -M- iii

90. Mass/Charge

m/e Abund.

31.00 120210

33.00 129397

40.00 62312

44.00 61732

m/e Abund

.

45.00 175561

50.00 25700

51.00 26516

m/e Abund

.

64.00 133440

65.00 555612

69.00 1706907

m/e Abund

.

70.00 17439

83.00 17311

84.00 16271

102


152a 1,1-difluoroethane

synonyms: ethylidene difluoride; Algofrene type G7; UN 1030; Genetron 100.

structure:

F H

H—C—i—

H

I I F H

C. A. S. Registry Number: 75-37-6

Relative Molecular Mass: 66.05

Normal Boiling Point: -24.7 C

Melting Point: -117 °C

Critical Temperature: 113.5 °C

Critical Pressure: 4.52 MPa

Critical Density: 0.365 g/mL

Density/Specific Gravity: 0.966 g/mL, 1, (19 °C)

Refractive Index:

Vapor Density: 2.3

FlashPoint: NA

PEL: NE

UEL: 18%

TLV: NE

LEL: 3.7%

Toxicology: Pulmonary irritant; narcotic effects and anesthetic effects at high

concentrations.

Reactivities and Chemical Incompatibilities: May produce HF, F" upon thermal

decomposition; incompatible with O2, oxidizers, peroxidizers, active metals.

Solubilities: H2 0: 0 °C - 0.54 percent; 27.5 °C - 0.25 percent.

105
Mass Spectrum:

1 , 1 — difluoroethane

100.00 i

75.00 -

50.00

25.00 -

51

0.00

47

45

44 33 40 43

I I I I I I I I I

|

I I I I I ll I I

|

I I I I I I I I I

|

I I I I I I I M

25.00 30.00 35.00 40.00

4 6

65

64 63

I I I I I I I

|

I I ! I I I I I I

|

I II I I I I I I

|

I I II I I I I I

|

I I I I I I I I I

|

66

45.00 50.00 55.00 Mass/Charge60.00 65.00 70.00

m/e Abund.

31.00 335948

33.00 91587

40.00 52435

43.00 24575

m/e Abund

44.00 265459

45.00 851945

46.00 317437

m/e Abund

47.00 1098537

51.00 3914652

63.00 71383

m/e Abund

64.00 200818

65.00 1945060

66.00 49881

106


161 fluoroethane

synonyms: ethylfluoride; UN 2453; monofluoroethane.

structure:

H H

I I F—C—C—

H

H H

C. A. S. Registry Number: 353-36-6

Relative Molecular Mass: 48.06

Normal Boiling Point: -37.1 C

Melting Point: -143.2 °C

Critical Temperature: 102.16 °C

Critical Pressure: 4.70 MPa*

Critical Density: 0.288 g/mL*

Density/Specific Gravity:

Refractive Index: 1.2656, 1, (20 °C)

Vapor Density: 1.66

FlashPoint: NA

PEL: NE

UEL: NE

TLV: NE

LEL: NE

Toxicology: Can cause pulmonary edema; narcotic at high concentration; simple asphyxiant.

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce HF; avoid

contact with active metals.

Solubilities: Slightly soluble in water; moderate solubility in alcohols, ethers, carbon

tetrachloride.

109
Mass Spectrum:

fluoroethane

47 100.00 —

i

75.00 -

50.00 -

33

25.00

32 46

45 48

54 50 0.00 I I I I I I I I I I I I I I I I 1 1

I

I I I I I I I I I I

I I I I I I I I I I I I I III! I I I I I I I I I 28.00 32.00 36.00 40.00 Mass/Charge

44.00 48.00 52.00

m/e Abund

.

25.00 188302

26.00 674246

27.00 1739208

31.00 102712

m/e Abund

.

32.00 471440

33.00 1373825

34 .,00 15966

36.00 6925

m/e Abund

.

40.00 49517

44.00 135546

45.00 315898

m/e Abund

.

46.00 461836

47.00 3305726

48.00 377159

110


113B2a/?

2-chloro-l , 2-dibromo-1 , 1

, 2-trifluoroet hane

synonyms: 1 ,2-dibromo-l-chlorotrifluoroethane.

C. A. S. Registry Number: 354-51-8

Relative Molecular Mass: 276.5

Normal Boiling Point: 93-94 °C

Melting Point:

Critical Temperature: 291.2 °C*

Critical Pressure: 5.15 MPa*

Critical Density: 0.968 g/mL*

Vapor Density: >1 PEL: NE TLV: NE

FlashPoint: does not flash UEL: NA LEL: XA

Toxicology: Detailed toxicology is not available: may be harmful if inhaled or ingested

through skin; may be irritating to eyes and mucous membranes.

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce HF. HBr.

CO, CO2, carbonyl halides; avoid contact with oxidizing agents and halogens.

Solubilities: Somewhat soluble in carbon tetrachloride: negligible solubility in water.

structure:

F CI

I I Br—C—C-Br

I I F F

Density/ Specific Gravity:

Refractive Index:

113
Mass Spectrum:

2-chloro- 1 ,2-dibromo - 1 , 1 ,2-trifluoroethane

100.00

c

03ou

CD Oh

CDO

a

COa

75.00 -

50.00 -

25.00

0.00

31

47 50

40_L n—r~i—

r

30.00

62

66

68

i—

r

79 116

85

91 97

J

110

112

1—I—I I I—f I I

129

131

197

147

149 160 178

, 162 176 180

191

70.00 110.00 Mass/Charge

i i i i i i i |

I r

150.00

1 1 r 190.00

199

m/e Abund. m/e Abund. m/e Abund. m/e Abund.

31.00 502084 81.00 144914 126.00 13323 162.00 32909

40.00 19565 85.00 55604 128.00 18875 176.00 34205

47.00 71658 91.00 39880 129.00 68609 178.00 44852

49.00 24423 93.00 38706 131.00 64411 180.00 10866

50.00 71274 97.00 22999 145.00 178443 191.00 26431

62.00 19828 110.00 46912 147.00 232601 195.00 544894

66.00 100649 112.00 45754 149.00 56657 197.00 734116

68.00 33127 116.00 112330 160.00 38107 199.00 177207

79.00 140094 118.00 35417

114


113B2 l-chloro-l,l-dibromotrifluoroethane

synonyms:

structure:

Br F

CI—c—i—

I I Br F

C. A. S. Registry Number: 754-17-6

Relative Molecular Mass: 275.5

Normal Boiling Point: 91-92 C

Melting Point: 42-45 °C

Critical Temperature: 288.1 °C*

Critical Pressure: 5.1 MPa*

Critical Density: 0.973*

Density/Specific Gravity:

Refractive Index:

Vapor Density: >1 PEL: NE

Flash Point: does not flash UEL: NA

TLV: NE

LEL: NA

Toxicology: Detailed toxicology is not available; may cause irritation to eyes, skin and

mucous membranes.

Reactivities and Chemical Incompatibilities: May form HF, HBr, CO, CO2 and carbonyl

fluoride upon thermal decomposition.

Solubilities: Somewhat soluble in carbon tetrachloride; negligible solubility in water.

117
Mass Spectrum:

1 — chloro— 1, 1-dibromotrifluoroethane

100.00

197

4->c

0)o

u

o

a

d

p

75.00 -

50.00 -

25.00 -

195

47 69 81 79

91 85

93

I 97

116 128

147

145

110 118

126 129 1 60 176

,162 191 188

207209

D.00 | i '|

i i 40.00i i i i i

I

i 80.00i i i i i i'i i'i i'r i i i 120.00 Mass/Charge

i i i i | ii

160.00

i 1 i i 1

1

i

i i i 200.00

m/e Abund. Abund. m/e Abund. m/e Abund.

31.00 148585 81.00 98437 126.00 37968 178.00 41597

35.00 26535 85.00 27681 128.00 50789 188.00 10814

40.00 17807 91.00 57992 129.00 20423 191.00 22669

47.00 88761 93.00 56306 145.00 70706 195.00 510600

49.00 29060 97.00 15687 147.00 91496 197.00 674634

50.00 33326 110.00 18733 160.00 23360 199.00 164252

66.00 23251 116.00 53979 162.00 20259 207.00 58059

69.00 102933 118.00 16015 176.00 30863 209.00 44413

79.00 99665

118
119

1 14B2 1 , 2-dibromotetrafluoroethane

synonyms: dibromotetrafluoroethane; sym-dibromotetrafluoroethane; Halon 2402.

structure: C. A. S. Registry Number: 25497-30-7

Relative Molecular Mass: 259.82

I I F F

Normal Boiling Point: 47.3 °C

Melting Point: -110.5 °C Density/Specific Gravity: 2.163 g/mL (25 °C)

Critical Temperature: 219.4 °C* Refractive Index:

Critical Pressure: 5.3 MPa*

Critical Density: 1.03 g/mL*

Toxicology: Inhalation of concentrations in excess of 100g/m3 (approx. 1 percent, vol/vol)

for over 30 seconds depresses the central nervous system, may cause narcosis, and irreversible

damage to the cardiocirculatory system. (Suggested TLV 1000 ppm for 1 minute, by NFPA.)

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce HF, HBr,

CO, CO2; avoid contact with ABS resins and polystyrene.

Solubilities: Negligible solubility in water.

Vapor Density: 10 g/1 (47.3 C) PEL: NE TLV: NE

FlashPoint: NA UEL: NA LEL: NA

121
Mass Spectrum:

100.00

75.00 -

50.00 -

25.00 -

0.00

31

28

32

1 ,2 — dibromotetrafluoro ethane

1 79

181

129

50

100

79 81

62 rn—i—i—i—n—i—r~f 25.00 65.00

i—i—

91 93

110.112

131

160

,162 143 172 -rn—|—rn—i—i—

105.00 Mass/Charge

t—i—I—

|—i—i—

145.00

t—i—i—

1911193

185.00

m/e Abund.

28.00 272202

31.00 646049

32.00 75637

50.00 289411

62.00 15350

69.00 137368

m/e Abund.

79.00 167018

81.00 176286

91.00 38134

93.00 35474

100.00 224989

110.00 55030

m/e Abund

112.00 52723

129.00 332039

131.00 319892

141.00 2970

143.00 3255

160.00 53244

m/e Abund

162.00 49296

172.00 1350

179.00 760738

181.00 724019

191.00 55794

193.00 26377

122


1 23B 1 2-bromo-2-chloro-l , 1 , 1-trifluoroethane

synonyms:

structure:

F 01

F—A—A—

I I F Br

C. A. S. Registry Number: 151-67-7

Relative Molecular Mass: 197.39

Normal Boiling Point: 50.2 C

Melting Point: NA

Critical Temperature: 223.0 °C*

Critical Pressure: 4.8 MPa*

Critical Density: 0.750 g/mL*

Density/Specific Gravity: 1.872 (20 °C)

Refractive Index:

Vapor Density: NA PEL: NE

Flash Point: nonflammable UEL: NA

TLV: NE

LEL: NA

Toxicology: May cause pulmonary edema and congestion, and tachycardia; anesthetic at higher concentrations.

Reactivities and Chemical Incompatibilities: Thermal decomposition may produce HF, HBr,

HC1, CO, CO2, phosgene; avoid contact with alkali metals and powdered metals.

Solubilities: H2 0: 0.01 - 0.1 percent, wt/wt.

125
Mass Spectrum:

100.00 -i

c

CDo

&_

Cuooc

T3a<

75.00 -

50.00 -

25.00 -

0.00

31

2-bromo-2-chloro- 1, 1,

1 -trifluoroethane

47

4850

1 1—

T

30.00

69

67

63

79

98

81 91, ,94

100 1 1

1

113

1 29

127

142

198

196

179 177

i—i r |—irn—i—rn—m—i—| i i i—rn—i—i—l—i—

|—i—i—i—i—i—i r i—i—

|—

r

70.00 110.00 Mass/Charge150.00 190.00

m/e

31.00

47.00

48.00

50.00

51.00

63.00

67.00

69.00

Abund

.

326743

118546

144961

111780

111666

56648

276627

337757

m/e Abund.

79.00 161308

81.00 157911

82.00 29146

91.00 34091

92.00 37651

93.00 32711

94.00 35901

m/e Abund. m/e Abund.

98.00 199204 129.00 188469

100.00 64167 142.00 11660

111.00 55039 144.00 11504

113.00 53026 177.00 86880

117.00 593930 179.00 113511

119.00 192311 196.00 276811

127.00 146372 198.00 362394

126
127
128
1 23B2 1 , 2-dibromo-l , 1 , 2-trifhioroethane

synonyms:

structure:

Br Br

F—A—A—

H

F F

C. A. S. Registry Number: 354-04-1

Relative Molecular Mass: 241.8

Density/Specific Gravity:

Refractive Index:

Normal Boiling Point: 76 C

Melting Point: NA

Critical Temperature: 267.7 °C*

Critical Pressure: 4.9 MPa*

Critical Density: 0.846 g/mL*

Vapor Density: >1 PEL: NE

Flash Point: does not flash UEL: NA

TLV: NE

LEL: NA

Toxicology: Detailed toxicology is not available; may be harmful if inhaled or ingested

through the skin; may be narcotic at higher concentrations.

Reactivities and Chemical Incompatibilities: Thermal decomposition may produce HF, HBr,

Br2 , F2 , CO, C02 .

Solubilities: Negligible solubility in water.

129
Mass Spectrum:

100.00 -|

e

u

u

o

CU6

oc

(13 C

3

<

75.00 -

50.00 -

25.00 -

0.00

31

28

32

1 ,2-dibromo- 1 , 1 ,2-trifluoroethane

51

4 4

82

79

63

91

1 63

161

1 1 1

,94

113

142

129

,131

144

64

171 173 m—r~i—m—r*i—i—| 'i" i—r~i—i—i—r~i—i—| r i—rn—i—i r i— —i—i—

25.00 75.00 125.00 175.00 Mass/Charge

221. i—i—rr

223

225

m/e Abund.

28.00 313245

31.00 585547

32.00 211288

44.00 118593

50.00 68169

51.00 273007

63.00 114024

m/e Abund

79.00 201591

81.00 207994

82.00 281942

91.00 36852

92.00 27235

93.00 35655

94.00 25414

m/e Abund.

111.00 300500

113.00 289116

129.00 56417

131.00 52148

142.00 93390

144.00 88919

161.00 958517

m/e Abund

163.00 967502

164.00 20038

171.00 4969

173.00 9052

221.00 3440

223.00 6682

130


123aBk*

l-bromo-2-chloro-l , 1 ,2-trifluoroethane

synonyms:

structure: C. A. S. Registry Number: 354-06-3

Relative Molecular Mass: 197.4

F F

I I Br—C—C—CI

F H

Normal Boiling Point: 50-55 °C

Melting Point: NA Density/Specific Gravity: 1.8636 (25 °C)

Critical Temperature: 239.4 °C* Refractive Index:

Critical Pressure: 6.05 MPa*

Critical Density: 0.809 g/mL*

Vapor Density: >1 PEL: NE TLV: NE

FlashPoint: not flammable UEL: NA LEL: NA

Toxicology: Detailed toxicology is not available; may cause eye irritation and possible

anesthesia.

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce HF, HBr,

and HC1.

Solubilities: Negligible solubility in water.

133
Mass Spectrum:

l-bromo-2-chloro - 1, 1,2-trifluoroethane

100.00 -i

a

V 75.00 - O

u

0) Ph

1 1 7

CDo

c

A3C

P

<

50.00 -

25.00 -

67

31

28

51 32

4447 63

69 82 98

91 93 100

111

1.13 110

19

129

131 161

.163 179 ia J98

196. . 200 U.UU 1

1 1 1 25.00i i i i i I 65.00

i i 1-t—

i i

i

i i ii i i r~r r~i—

105.00 145.00 Mass/Charge

1 I 1 1 1

'

1 | 1 IT

185.00

m/e Abund. m/e Abund. m/e Abund. m/e Abund.

28.00 272979 69.00 210798 110.00 17721 129.00 154588

31.00 517192 79.00 129713 111.00 95254 131.00 131374

32.00 179333 81.00 130636 112.00 18592 161.00 64547

44.00 99188 82.00 169759 113.00 92772 163.00 59479

47.00 50523 85.00 15316 117.00 1424313 179.00 11130

51.00 229563 91.00 16381 118.00 40755 196.00 18916

62.00 17822 93.00 15349 119.00 449633 198.00 23264

63.00 66319 98.00 122686 127.00 20694 200.00 5955

67.00 638402 100.00 39391

134


132bB2 l,2-dibromo-l,l-difluoroethane

synonyms: difluorodibromoethane; l,l-difluoro-l,2-dibromoethane.

structure: C. A. S. Registry Number: 75-82-1

Relative Molecular Mass: 223.86

Br Br

Normal Boiling Point: 92-93 °C

Melting Point: -63.1 °C Density/Specific Gravity: 2.2238 (20/4)

Critical Temperature: 300.7 °C* Refractive Index:

Critical Pressure: 5.59 MPa*

Critical Density: 0.826 g/mL*

Vapor Density: > PEL: NE TLV: NE

FlashPoint: NA UEL: NA LEL: NA

Toxicology: Detailed toxicology is not available; possible pulmonary irritant.

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce HF, HBr,

CO, CO2; avoid contact with active metals.

Solubilities: Negligible solubility in water.

137
Mass Spectrum:

100.00

a

V 75.00 - O

inO

O 50.00 - c

c

•B 25.00 -

0.00

31

1 ,2-dibromo- 1, 1 -difluoro ethane

45

50

30.00

64

79

81 93

95

143

123

J-U

131

'45

1 I I I J I II I I I I I T | I l_ 1 1 1 1 1 1

I ' 1 1 1 1 1 1 1 '

146

185 224

80.00 130.00 Mass/Charge180.00

m/e Abiind.

31.00 152468

44.00 152681

45.00 131715

50.00 23289

64.00 414428

79.00 120632

m/e Abund.

81.00 116715

93.00 102832

94.00 22218

95.00 81022

123.00 92725

124.00 25248

m/e Abund.

125.00 89079

126.00 19559

129.00 15999

131.00 15099

143.00 747150

m/e Abund

144.00 46614

145.00 708593

146.00 14890

185.00 13430

224.00 11949

138


1 33aB 1 2,2, 2-trifluoroethyl bromide

synonyms: l-bromo-2,2,2-trifluoroethane; 2,2,2-trifluoro-l-bromoethane.

structure:

H F

Br—i—A—

I

I I H F

C. A. S. Registry Number: 421-06-7

Relative Molecular Mass: 162.9

Normal Boiling Point: 26 C

Melting Point: -94 °C

Critical Temperature: 191.4 °C*

Critical Pressure: 5.46 MPa*

Critical Density: 0.744 g/mL*

Density/Specific Gravity: 1.7881 (20/4)

Refractive Index:

Vapor Density: >1

FlashPoint: NA

PEL: NE

UEL: NA

TLV: NE

LEL: NA

Toxicology: Detailed toxicology is not available; may cause skin irritation.

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce HF, HB

CO, CO2; avoid contact with strong oxidants.

Solubilities: Negligible solubility in water; somewhat soluble in carbon tetrachloride.

141
Mass Spectrum:

100.00 -i

75.00

50.00 -

25.00

0.00

2,2,2— trifluoroethyl bromide

83

33

31

64

44

45 63

79

162

93

95

84 91

143

123 113

,125 142

145 mm iri i i

| i i i i i i i i i | r i i i i i i i i| i i i i in i rprm m i i| rn i m i i i| m i i i i m i

i i n i

164

20.00 40.00 60.00 80.00 100.00 120.00 Mass/Charge140.00 160.00

m/e Abund

m/e Abund

u e Abund. m/e Abund.

31.00 220796 64.00 268264 92 .00 29540 125.00 45713

33.00 506697 69.00 208445 93 .00 115203 142.00 15941

44.00 85001 79.00 113954 94 00 28411 143.00 69256

45.00 28686 81.00 114494 95 00 88612 144.00 16944

50.00 38684 83.00 730208 111 00 24890 145.00 83077

51.00 48400 84.00 15626 113 00 22142 162.00 554997

63.00 127614 91.00 26292 123 00 47899 164.00 542881

142
143

142B1 2-bromo-l,l-diimoroethane

synonyms: bromodifluoroethane; l-bromo-2,2-difluoroethane.

structure:

F H

H—i—i—Br

I I F H

C. A. S. Registry Number: 359-07-9

Relative Molecular Mass: 144.94

Density/Specific Gravity: 1.824 (18.5/4)

Refractive Index:

Normal Boiling Point: -57.3 C

Melting Point:

Critical Temperature: 64.7 °C*

Critical Pressure: 4.93 MPa*

Critical Density: 0.580 g/mL

Vapor Density: > 1

FlashPoint: NA

PEL: NE

UEL: NA

TLV: NE

LEL: NA

Toxicology: Detailed toxicology is not available; may be irritating to skin, eyes, mucous

membranes.

Reactivities and Chemical Incompatibilities: Thermal decomposition can result in the

formation of HF, HBr, F2 , Br2, CO, CO2; avoid contact with oxidizing agents and halogen

Solubilities: Somewhat soluble in carbon tetrachloride; negligible solubility in water.

145
Mass Spectrum:

100.00 -i

4 5 2-bromo- 1 , 1 -difluoroethane

G

0)o

03

PL,

03O

a

T3C

75.00 -

50.00 -

25.00 -

51

4 6

4 4

0.00 T

65

64

63

40.00 60.00

56

79 81

32

105

9395

107 125

123| 12?

1 44

I I I I I I | I I I I I I I I I

|

I I I I I I I I I

| I I I I I I I I I | I 80.00 100.00 120.00 140.00

146

Mass/Charge

m/e Aburd

,

31.00 228053

44.00 193295

45.00 799832

46.00 230517

51.00 417684

63.00 58667

m/e Abnnd.

64.00 436582

65.00 506412

66.00 10928

79.00 155227

81.00 154242

82.00 24063

m/e Abund

91.00 31508

92.00 31845

93.00 271936

95.00 240789

105.00 100140

107.00 98191

m/e Abund

123.00 23817

125.00 63363

127.00 41018

144.00 653883

145.00 45812

146.00 637974

146
147

1 5 1 B 1 1-bromo-2-fluoroethane

synonyms: bromofluoroethane

C. A. S. Registry Number: 762^9-2

Relative Molecular Mass: 126.95

Normal Boiling Point: 71-72 °C

Melting Point: NA Density/Specific Gravity: 1.7044 (25/4)

Critical Temperature: 273.6 °C* Refractive Index: 1.4236 (20)

Critical Pressure: 5.6 MPa*

Critical Density: 0.533 g/mL*

Vapor Density: >1 PEL: NE TLV: NE

Flash Point: NA UEL: NA LEL: NA

Toxicology: Detailed toxicology is not available; may cause irritation to eyes, skin, mucous

membranes, and upper respiratory tract.

Reactivities and Chemical Incompatibilities: Thermal decomposition may produce HF, HBr,

CO, C02 .

Solubilities: Somewhat soluble in carbon tetrachloride; negligible solubility in water.

structure:

H H —A—A—

i

Br

I I H H

149
Mass Spectrum:

1 -bromo — 2-fluoroethane

c

oo

u

CD

PL,

0)o

G

T3C

<

100.00 —

i

75.00 -

27

50.00 -

25.00 -

28

45

36 0.00 i i i i i i i r 25.00

126 128

79 93

45.00

i i I I I I i

|

i i i i r

82

III,

91

95

105

1 07

85.00 Mass/Charge

105.00

I I I I I I I i

|

I 125.00

129

I I I

m/e Abund

.

27.00 660972

28.00 399013

33.00 97056

36.00 11019

40.00 20349

44.00 71926

m/e Abund.

45.00 247226

46.00 304329

47.00 1080410

48.00 23212

79.00 75432

80.00 19259

m/e Abund.

81.00 77902

82.00 19855

91.00 14765

93.00 107307

95.00 92496

105.00 29881

m/e Abund

.

107.00 29591

126.00 432499

127.00 2653

128.00 426499

129.00 8382

150


1110 tetrachloroethylene

synonyms: tetrachloroethene, carbon bichloride, carbon dichloride, perchloroethylene,

ethylene tetrachloride, 1,1,2,2-tetrachloroethylene

C. A. S. Registry Number: 127-18-4

Relative Molecular Mass: 165.83

Normal Boiling Point: 121.2

U C

Melting Point: -19 °C Density/Specific Gravity: 1.6227 (20/4)

Critical Temperature: 347.1 °C Refractive Index: 1.5053 (20 °C)

Critical Pressure: 9.74 MPa

Critical Density: 0.703 g/mL

Vapor Density: 5.83 PEL: 100 ppm TLV: 50 ppm

Flash Point: nonflammable UEL: NA LEL: NA

Toxicology: Irritating to skin, eyes, mucous membranes; lachrymation possible at higher

concentrations, as well as narcosis and dizziness; prolonged exposure can damage kidneys and

liver; possible carcinogen and mutagen.

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce HC1, CO,

CO2, phosgene; avoid contact with strong bases.

Solubilities: Alcohols, ether, benzene, carbon tetrachloride; H2O: 0.015 g/mL (25 C).

structure:

CI CI XC=C^ y \

Cl Cl

153
Mass Spectrum:

.+-> a

0)u

o

Oh

cd" o

a

cd

<

100.00 —

i

75.00 -

50.00 -

25.00

0.00

47

49

59

I I III

40.00

61

tetrachloro ethylene

a:

86

94

I I I

|

I I I I I I I I I

|

I I 60.00 80.00

I I I

96

98

1 29

131

133

135

I

1 66

1 64

|

I I I I I I I II |

I I I II II I I |

I I I I I I I I I

| I 100.00 120.00 140.00 160.00

168

Mass/Charge

m/e Abund.

47.00 44522

49.00 143272

59.00 238145

60.00 5459

61.00 76441

m/e Abund.

70.00 9370

82.00 130778

84.00 85535

86.00 12411

94.00 408706

m/e Abund

.

96.00 264311

98.00 41944

129.00 568487

131.00 527589

133.00 172194

m/e Abund

.

135.00 18129

164.00 554157

166.00 708240

168.00 338376

154


1111 trichlorofluoroethylene

C. A. S. Registry Number: 359-29-5

Relative Molecular Mass: 149.38

Density/Specific Gravity: 1.5460, 1, (20 C)

Refractive Index:

Vapor Density: >1 PEL: NE TLV: NE

FlashPoint: does not flash UEL: NA LEL: NA

Toxicology: Detailed toxicology not available; may be irritating to skin and eyes.

Reactivities and Chemical Incompatibilities: Thermal decomposition may produce HC1, HF,

CO, CO2; avoid contact with active metals, strong oxidizers.

Solubilities: Somewhat soluble in carbon tetrachloride; negligible solubility in water.

synonyms: trichlorofluoroethene.

structure:

CI CI Xc=c^ / \

CI F

Normal Boiling Point: 71 °C

Melting Point: -108.9 °C

Critical Temperature: 272.1 °C*

Critical Pressure: 6.52 MPa*

Critical Density: 0.729 g/mL*

157
Mass Spectrum:

100.00 -i

75.00 -

50.00 -

25.00

0.00

47

43

49

trichlorofluoroethylene

59 66

6 1

I I I II I I I I

|

I I 40.00 60.00

68

113

78

82

84

94

101

115

119

I 48

150

I I I I

|

I I I I I I I I I

I

I I I I I I I I I

|

I I I I I I I I I | I I I 80.00 100.00 120.00 140.00

152

Mass/Charge

T-rn

160.00

m/e Abund.

43.00 50859

44.00 10509

47.00 358401

49.00 116178

59.00 74266

61.00 23577

m/e Abund.

66.00 44001

68.00 14585

74.00 10660

78.00 261881

82.00 130604

84.00 86625

m/e Abund.

94.00 42417

96.00 27780

101.00 20473

113.00 491082

115.00 310443

m/e Abund

.

117.00 72021

119.00 22928

148.00 586046

150.00 541895

152.00 175967

158
159

1112a 1 , l-dichloro-2 , 2-difluoroethylene

synonyms: 1,1-dichlorodifluoroethylene; l,l-dichloro-2,2-difluoroethene;

1 , 1-dichlorodifluoroethene.

structure:

CIxF

CI F

C. A. S. Registry Number: 79-35-6

Relative Molecular Mass: 132.92

Density/Specific Gravity: 1.4385, 1, (20 °C)

Normal Boiling Point: 19 °C

Melting Point: -116 °C

Critical Temperature: 186 °C

Critical Pressure: 6.61 MPa*

Critical Density: 0.764 g/mL*

Refractive Index:

Vapor Density: >1

Flash Point: None

PEL: NE

UEL: NA

TLV: NE

LEL: NA

Toxicology: Detailed toxicology is not available; may cause skin and eye irritation; possible

pulmonary irritant.

Reactivities and Chemical Incompatibilities: Thermal decomposition may produce HF, HC1,

CO, CO2, and possibly carbonyl halides; avoid contact with strong oxidizers, O2 active

metals.

Solubilities: Somewhat soluble in carbon tetrachloride; negligible solubility in water.

161
Mass Spectrum:

100.00

1 , 1 -dichloro-2,2-difluoroethylene

47

132

+->c

CDO

CD a,

o

G

<

75.00 -

50.00

25.00

43

0.00

50

59 62

I 61i

82

78

40.00

I I I I |I 60.00

I I I I I I

84

134

97

99 113

115

I I I I I I I |

I I I I I I I I I |I I I I I 80.00 100.00 Mass/Charge

120.00

~ 1

! 140.00

m/e Abund.

43.00 145117

47.00 1302647

50.00 355416

59.00 60660

61.00 21502

62.00 53676

m/e Abund

66.00 77096

67.00 16275

68.00 20572

78.00 173628

82.00 913473

m/e Abund.

84.00 591322

85.00 38576

97.00 257736

99.00 81967

101.00 21176

m/e Abund

103.00 12966

113.00 91085

115.00 58451

132.00 1411347

134.00 882283

162
163

1113 chlorotrifluoroethylene

synonyms: l-chloro-l,2,2-trifluoroethylene; chlorotrifluoroethene; CTFE; ethylenetrifluorochloro-; 1,1,2-trifluorochloroethylene; trifluorovinylchloride; Genetron 1113.

structure:

CI F

/ \

F F

C. A. S. Registry Number: 79-38-9

Relative Molecular Mass: 116.47

Normal Boiling Point: -26.2 C

Melting Point: -157.5 C Density/Specific Gravity: 1.54 (-60/4)

Critical Temperature: 117.0 °C* Refractive Index: 1.38 (0 C)

Critical Pressure: 6.65 MPa*

Critical Density: 0.814 g/mL

Vapor Density: 4.13 PEL: NE TLV: NE

FlashPoint: -27 C UEL: 38.7% LEL: 8.4%

Toxicology: Low concentration can cause dizziness, nausea, vomiting, and possibly kidney

damage. High concentrations may cause cardiac arrhythmia, asphyxia, and potentially fatal

renal failure.

Reactivities and Chemical Incompatibilities: Thermal decomposition can form HF, HC1, CO,

CO2; hazardous polymerization is possible; avoid contact with strong bases, oxidants, O2, and

air.

Solubilities: Somewhat soluble in carbon tetrachloride and benzene; negligible solubility in

water.

165
Mass Spectrum:

£

COo

U

CO fX6

o

e

cd -dc

p

<

100.00 -i

75.00

50.00 -

25.00 -

35

chlorotrifluoroethylene

47

37 «

I 40 •00 1

i i

1

i

1

i I i

1

i i

1

i

1

I

i i 30.00 50.00

50

49

66

62

58

59

68

85

81

87

97

89

116

110 i—I—I—

|—i—i—i—i—rn—iii—

|—i—i—iii—i—i—i—i—|—i—

r

70.00 90.00 110.00 Mass/Charge

118

m/e Abund. m/e Abund. m/e Abund. m/e Abund.

31.00 3697834 49.00 248106 68.00 318464 99.00 182122

35.00 341632 50.00 463381 81.00 446208 100.00 4663

37.00 112440 58.00 27872 85.00 804480 116.00 2056362

40.00 18318 59.00 33237 87.00 261717 117.00 36973

43.00 131618 62.00 127490 97.00 556245 118.00 627840

47.00 76891 66.00 1007274

166


1114 tetrafluoroethylene

synonyms: tetrafluoroethene; perfluoroethylene; perfluoroethyene; TFE; ethylene

tetrafluoride.

structure:

F F

F F

C. A. S. Registry Number: 116-14-3

Relative Molecular Mass: 100.02

Normal Boiling Point: -75.63 C

Melting Point: -142.5 °C Density/Specific Gravity: 1.151 g/mL (-40 °C)

Critical Temperature: 33.3 C Refractive Index:

Critical Pressure: 6.63 MPa

Critical Density: 0.893 g/mL

Vapor Density: 3.87 PEL: NE

Flash Point: flammable gas UEL: 43

TLV: NE

LEL: 14

Toxicology: Detailed toxicology is unknown; simple asphyxiant, may cause inflamed

pharynx, difficulty in breathing, fatigue; tumorigen.

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce CF4 , CO2,

COF2, hexafluoropropene, perfluoroisobutylene; avoid contact with O2, as explosive peroxides can form.

Solubilities: Somewhat soluble in carbon tetrachloride; H2O: 0.12 g/1000 raL.

169
Mass Spectrum:

100.00 —

cV 75.00 O

U

<D Oh

O 50.00 C

CtS C^ 25.00 -

tetrafluoroethylene

50

40

69

100

82 0-00 I I I I I I I I I I I I I I I I I I I I I I I I I I I

I

I i i i i i i I I

I

I I I I I I I I I

I I I I I I I I I II

I I I I I I I I I I I I I I 30.00 40.00 50.00 60.00 70.00 80.00 90.00 100.00 Mass/Charge

m/e Abund

31.00 924211

40.00 59280

43.00 12278

m/e Abund.

44.00 14933

50.00 345133

m/e Abund.

69.00 39617

81.00 910624

m/e Abund

82.00 18870

100.00 509062

170


1120 t richloroethylene

synonyms: trichloroethene; acetylene trichloride; l-chloro-2,2-dichloroethylene; Algylen;

l,l-dichloro-2-chloroethylene; Vestrol; Tri-Clene; trichlor.

structure:

CI CI Xc=c^ / \

CI F

C. A. S. Registry Number: 79-01-6

Relative Molecular Mass: 131.39

Normal Boiling Point: 86.7 C

Melting Point: -86.8 °C

Critical Temperature: 271.0 °C

Critical Pressure: 5.02 MPa

Critical Density: 0.566 g/mL*

Density/Specific Gravity: 1.4556 (25/4)

Refractive Index: 1.4773 (20 °C)

Vapor Density: 4.5

Flash Point: None

PEL: 50ppm

UEL: 12.5%

TLV: 50ppm

LEL: 9%

Toxicology: Possibly carcinogenic and mutagenic, narcotic, anesthetic, potentially addictive;

high concentrations can cause ventricular fibrillation; eye, skin and mucous membrane

irritant; may damage gastrointestinal tract, liver, and kidneys.

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce HC1, CO,

CO2, phosgene; avoid contact with oxidizing and reducing agents, strong bases, Al, Mg, light.

Solubilities: Soluble in alcohol, ether, acetone, benzene, carbon tetrachloride; H2O: 0.0225

g/100 mL (20 °C).

173
Mass Spectrum:

c

o

u

0)

Q)

CJC

COG

3

<

100.00 -i

75.00 -

50.00 -

25.00

0.00

35

37

47

48

trichloroethylene

60

59

i i i i i i i i i |

i i i r 30.00 50.00

62

97

94

82

i i

|

i i i i r 70.00

84

1 1

I

1

96 99

130

132

n i i i i i

i i i i i i i i r 90.00 Mass/Charge

110.00

133

130.00

m/e Abund.

35.00 816312

36.00 69772

37.00 263773

47.00 419489

48.00 182870

49.00 139565

50.00 58756

m/e Abund.

59.00 206692

60.00 950936

61.00 86905

62.00 30149

65.00 22222

66.00 20437

m/e Abund.

70.00 19682

72.00 13582

82.00 97282

84.00 64913

94.00 154829

95.00 1204437

m/e Abund

96.00 126110

97.00 762967

99.00 118921

130.00 921813

132.00 887668

133.00 14048

174
175

1121 1,2-dichloro-l-fluoroethylene

synonyms: 1,2-dichloro-l-fluoroethene.

C. A. S. Registry Number: 430-58-0

Relative Molecular Mass: 114.93

Normal Boiling Point: 35.1 °C

Melting Point: NA Density/Specific Gravity: 1.4032 (16 °C)

Critical Temperature: 214.5 °C* Refractive Index:

Critical Pressure: 5.92 MPa*

Critical Density: 0.572 g/mL*

Vapor Density: >1 PEL: NE TLV: NE

FlashPoint: NA UEL: NA LEL: NA

Toxicology: Detailed toxicology is not available.

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce HF and

HC1; avoid contact with strong oxidizers.

Solubilities: Somewhat soluble in carbon tetrachloride; negligible solubility in water.

structure:

CI CI

F

X

H

177
Mass Spectrum:

100.00

CSO 75.00 - o

!h

O 50.00 - c

cO T3C

P^ 25.00 -

0.00

1 ,2-dichloro- 1 — fluoroethylene

44

40

4748 60

58 —i—i—i—I—i—i—n—|—i—i—

30.00 50.00

114

79

78

i i i

|

i i r

81

80 83

70.00 90.00 Mass/Charge

i—i—i

\—i—i—i—i—i—

110.00

m/e Abund

m/e Abund. m/e Abund. m/e Abund

35.00 46252 48.00 27460 60.00 32978 81.00 72596

37.00 15241 49.00 13434 62.00 10583 83.00 22868

40.00 53368 50.00 8813 66.00 9681 85.00 14946

43.00 10629 57.00 4751 78.00 45389 97.00 6011

44.00 144193 58.00 3222 79.00 223866 114.00 299095

47.00 39085 59.00 12779 80.00 20337

178
179

1123 trifluoroethylene

synonyms: trifluoroethene; 1,1,2-trifluoroethylene.

structure:

F

F H

C. A. S. Registry Number: 359-11-5

Relative Molecular Mass: 82.03

Normal Boiling Point: -51 C

Melting Point: -78 °C

Critical Temperature: 77.4 °C*

Critical Pressure: 5.68 MPa*

Critical Density: 0.590 g/mL

Density/Specific Gravity: 1.265, 1, (27 °C)

Refractive Index:

Vapor Density: 2.9

Flash Point: NA

PEL: NE

UEL: NA

TLV: NE

LEL: NA

Toxicology: Detailed toxicology is not available.

Reactivities and Chemical Incompatibilities: Thermal decomposition can form COF2, HF,

CO, CO2; hazardous polymerization may occur; avoid contact with peroxides, especially

under radical forming conditions.

Solubilities: Somewhat soluble in carbon tetrachloride; negligible solubility in water.

181
Mass Spectrum:

100.00 -i

V 75.00 O

a,

O 50.00 G

COc§ 25.00

trifluoroethylene

32

31

63

51

39 43 44 50

82

000 |

I I I I I I I I I

|

I I I I I I I I I |

I I I I I I I I I

|

I I I I I I I I I

|

I I I I I I I I I

| I I I I I I I I I|

I I I I I I I I I

| 20.00 30.00 40.00 50.00 60.00 70.00 80.00 90.00 Mass/Charge

m/e Abund.

31.00 874048

32.00 1239552

40.00 53072

m/e Abund

.

43.00 50272

44.00 73888

50.00 99024

m/e Abund,

51.00 721152

63.00 1329664

m/e Abund

.

64.00 28896

82.00 1053184

182


1130 cis-l,2-dichloroethylene

synonyms: z-l,2-dichloroethylene; 1,2-dichloroethene; acetylene dichloride; Dioform;

sym-dichloroethylene.

structure:

CI CI Xc-c^

H H

C. A. S. Registry Number: 540-59-0

Relative Molecular Mass: 96.94

Normal Boiling Point: 60.3 C

Melting Point: -80.5 °C

Critical Temperature: 234.1 °C

Critical Pressure: 5.19 MPa

Critical Density: 0.452 g/mL

Density/Specific Gravity: 1.2837 (20/4)

Refractive Index: 1.44900 (20 °C)

Vapor Density: 3.34

Flash Point: 6 C

PEL: 200 ppm

UEL: 15%

TLV: 200 ppm

LEL: 3.3%

Toxicology: Causes respiratory irritation; prolonged exposure results in narcotic effects;

possible liver and kidney damage in high concentrations.

Reactivities and Chemical Incompatibilities: Thermal decomposition may form HC1, CO,

CO2, phosgene; avoid contact with air, O2, moisture (slow hydrolysis), light, alkali metals.

Solubilities: Somewhat soluble in carbon tetrachloride, alcohols, ether, benzene, chloroform;

H2 0: 0.35-0.63 g/L, 25 °C.

185
Mass Spectrum:

cis— 1 ,2-dichloroethylene

100.00 —

i

75.00 -

50.00

25.00 -

60

47

4S

50 59 0.00 I I I I I

I I I 55.00

96

63

62

64 70 72 84

I

I

I I I I 65.00

I I I I I

|

I I I I I I I I I

| I I I I I I I I I

|

I I I i 45.00 75.00 Mass/Charge

85.00 95.00

m/e Abund

.

35.00 1227202

37.00 386905

40.00 21462

47.00 320794

48.00 352848

m/e Abund.

49.00 190712

50.00 107834

51.00 22078

59.00 65698

60.00 758661

m/e Abund.

61.00 3136004

62.00 304723

63.00 885437

64.00 21766

m/e Abund

.

70.00 41405

72.00 27800

84.00 13401

96.00 139451

186
1130 trans-l,2-dichloroethylene

synonyms: E-l,2-dichloroethylene; 1,2-dichloroethene; acetylene dichloride; Dioform;

sym-dichloroethylene.

structure:

CI H Xc-c^

H CI

C. A. S. Registry Number: 540-59-0

Relative Molecular Mass: 96.94

Normal Boiling Point: 47.5 C

Melting Point: -50 °C

Critical Temperature: 234.13 °C

Critical Pressure: 5.19 MPa

Critical Density: 0.452 g/mL

Density/Specific Gravity: 1.2565 (20/4)

Refractive Index: 1.44620 (20 °C)

Vapor Density: 3.34

FlashPoint: 2.2 °C

PEL: 200 ppm

UEL: 12.8%

TLV: 200 ppm

LEL: 9.7%

Toxicology: Causes respiratory irritation; prolonged exposure results in narcotic effects;

possible liver and kidney damage in high concentrations.

Reactivities and Chemical Incompatibilities: Thermal decomposition may form HC1, CO,

CO2, phosgene; avoid contact with air, O2, moisture (slow hydrolysis), light, alkali metals.

Solubilities: Somewhat soluble in carbon tetrachloride, alcohols, ether, benzene, chloroform;

H2 0: 0.35-0.63 g/L, 25 °C.

187
Mass Spectrum:

trans — 1 ,2-dichloroethylene

100.00

75.00

61

50.00 -

25.00

0.00

35

60

30.00

47

37

36 38

II |

I I I I I I 40.00

48

49

59

96

63

62

|

I I I I I I I I 50.00 60.00

9 6

94

I I I I I !

|

I I I 70.00

I I II I

| M I II I I I I| I I 80.00 100 Mass/Charge

90.00

G Abund. m/e A bun si

.

m/e /I bund

.

m/e

24 00 318988 38.00 72650 51.00 28500 63.00

25 00 1093777 40.00 15781 59.00 177250 94.00

26 00 2107630 47.00 578094 60.00 1139635 96.00

35 00 1051874 48.00 463667 61.00 3691008 98.00

36 00 233869 49.00 294114 62.00 435912 100.00

37 00 346393 50.00 142307

Abund

.

27268

188


1130a 1,1-dichloroethylene

synonyms: 1,1-dichloroethene; vinylidene chloride; 1,1-DCE; vinylidene chloride (II);

UNSYM-dichloroethylene.

structure:

CI H XC=C^ y \ Cl H

C. A. S. Registry Number: 75-35-4

Relative Molecular Mass: 96.94

Normal Boiling Point: 31.6 C

Melting Point: -122.1 °C

Critical Temperature: 230.1 °C*

Critical Pressure: 7.08 MPa*

Critical Density: 0.530 g/mL

Density/Specific Gravity: 1.218 (20 °C)

Refractive Index: 1.4249 (20 °C)

Vapor Density: 3.46 PEL: NE TLV: 5ppm

Flash Point: -22.8 C UEL: 15.5% LEL: 6.5%

Toxicology: Irritating to eyes and mucous membranes and respiratory tract; possible

carcinogen, possible damage to liver and kidneys; lachrymator; narcotic at high

concentrations.

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce HC1, CO,

CO2, phosgene; can undergo hazardous polymerization; avoid contact with strong oxidizers,

air, Cu, Al; absorbs O2, forming explosive peroxides.

Solubilities: Alcohols (reacts), ether, benzene, acetone, chloroform, carbon tetrachloride;

H2 0: 2250 mg/L (25 °C).

191
Mass Spectrum:

100.00 -i

C

0)o

u

a,

O

C

cd

ti <

75.00 -

50.00 -

25.00 -

0.00

_ 26

1 , 1 -dichloroethylene

61

35

60

37 47

49

1 50

59

I I I I I I M |I I I I M I I I

|

I I I I I I I I I

|

I I I 25.00 35.00 45.00 55.00

96

63

62

97

64 81 84 94

I

|

I I I I I I I I I |I I I I I I I I I |

I I I I I I I I I

|

I I I I I 65.00 75.00 85.00 95.00 Mass/Charge

m/e AbuncL m/e Abund

.

m/e Abund. m/e Abund

.

26.00 1458176 49.00 172096 62.00 351872 84.00 18192

35.00 982016 50.00 26560 63.00 1219072 94.00 15882

37.00 313984 59.00 169280 64.00 26892 96.00 1399808

38.00 36200 60.00 803712 82.00 33824 97.00 853056

47.00 359552 61.00 3907072

192
193

1131a 1-chloro-l-fluoroethylene

synonyms: 1-chloro-l-fluoroethene; chlorofluoroethylene; chlorofluoroethene.

structure:

CI H

y \

F H

C. A. S. Registry Number: 231-79-11

Relative Molecular Mass: 80.5

Normal Boiling Point: -24 C

Melting Point: -169 °C

Critical Temperature: 68.8 °C*

Critical Pressure: 6.97 MPa*

Critical Density: 0.530 g/mL*

Density/Specific Gravity:

Refractive Index:

Vapor Density: > 1

FlashPoint: NA

PEL: NE

UEL: NA

TLV: NE

LEL: NA

Toxicology: Detailed toxicology is not available; possible pulmonary irritant.

Reactivities and Chemical Incompatibilities: Thermal decomposition can form HF, HC1, CO,

CO2; no known major chemical incompatibilities.

Solubilities: Somewhat soluble in carbon tetrachloride; negligible solubility in water.

195
Mass Spectrum:

100.00 -i

<i> 75.00 - o

o

Oho

o

a

<

50.00 -

25.00 -

0.00

1 -chloro- 1 -fluoroethylene

26

25

24

20.00

28 31 35

32

40

45

I I I I '

I I I I ! I I I I I I I I I

80

46

4748

49 60

61

30.00 40.00

I I I I I I I I I |

I I I I I I I I I |

I I ill I I I I | I I I I I

81

50.00 60.00 Mass/Charge

70.00 80.00

m/e Abund.

24.00 209728

25.00 566720

26.00 888384

28.00 553088

31.00 516864

m/e Abund.

32.00 351872

34.00 507136

37.00 170688

40.00 31600

44.00 1053184

m/e Abiind.

45.00 4135424

46.00 94056

47.00 242112

48.00 189184

49.00 146688

m/e Abund.

59.00 39056

60.00 200256

61.00 275008

80.00 2616832

81.00 108880

196
197

1 132a 1 , 1-difluoroethylene

synonyms: 1,1-difluoroethene; difluoroethylene; vinylidene fluoride; vinylidene difluoride;

Genetron 1132.

structure:

F H

y \ F H

C. A. S. Registry Number: 75-38-7

Relative Molecular Mass: 64.04

Normal Boiling Point: -83 C

Melting Point: -144 C Density/Specific Gravity:

Critical Temperature: 30.1 C Refractive Index:

Critical Pressure: 4.43 MPa

Critical Density: 0.417 g/mL

Vapor Density: 2.21

Flash Point: <65 °C

PEL: 5ppm

UEL: 21%

TLV: 1 ppm

LEL: 5.5%

Toxicology: Detailed toxicology is not available; may cause slight anesthesis, difficulty in

breathing, ataxia, fatigue; possible mutagen, tumorigen.

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce HF, CO,

CO2; no known major chemical incompatibilities.

Solubilities: Somewhat soluble in carbon tetrachloride; negligible solubility in water.

199
Mass Spectrum:

100.00 —

i

c

d> 75.00 o

CD Oh

CDO 50.00

^ 25.00 -

0.00

33

30.00

34

1 , 1 -difluoroethylene

45

43

t—i—i—i—i—

|—i—

r

40.00

50

64

63

i i i r i—i—i—i—i—i—i—i—i—

|—i—

r

50.00 Mass/Charge60.00

T—I—I—I—I—

|

70.00

m/e Abund.

33.00 661312

34.00 11960

m/e Abund.

43.00 67936

44.00 795008

m/e Abund.

45.00 1158144

50.00 75304

m/e Abund.

63.00 295872

64.00 1805824

200


1141 fluoroethylene

synonyms: vinyl fluoride; fluoroethene; monofluoroethene.

C. A. S. Registry Number: 75-02-5

Relative Molecular Mass: 46.04

Normal Boiling Point: -72.2 °C

Melting Point: -160.5 °C Density/Specific Gravity: 0.615, 1, (25 °C)

Critical Temperature: 54.7 °C Refractive Index:

Critical Pressure: 5.54 MPa

Critical Density: 0.320 g/mL

Vapor Density: 1.6 PEL: NE TLV: NE

FlashPoint: flammable gas UEL: 29% LEL: 2.6%

Toxicology: Moderate level of toxicity, causing light-headedness at low levels; at higher

concentrations, eye and respiratory irritation, and narcosis is possible; possible mutagen.

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce HF, CO,

CO2; avoid contact with alkali and alkaline earth metals, powdered Al, Zn, Be, azo compounds, peroxides, uv radiation, oxygen.

Solubilities: Alcohols, ether, carbon tetrachloride; H2O: 1.1 percent wt/wt.

structure:

H F XC=CX

/ \ H H

203
Mass Spectrum:

100.00 —

75.00 -

50.00 -

25.00

0.00

fluoroethylene

28

26

25

I I I I I I I I 20.00 25.00

27

46

45

32

33

i T| I I r 30.00

| i i i i i i I i i|

i i I I i i i 35.00 40.00 Mass/Charge

45.00

i I I i I i i

| 50.00

m/e Abund.

25.00 230592

26.00 1196544

27.00 1011712

m/e Abund.

28.00 2956288

32.00 876416

m/e Abund

33.00 12528

44.00 816832

m/e Abund.

45.00 1692160

46.00 2367488

204


1 1 12aB 2 1 , 1-dibromodifluoroethylene

synonyms: 1, 1-dibromodifluoroethylene; 2,2-difluoroethylene.

structure:

Br F

Br F

C. A. S. Registry Number: 430-85-3

Relative Molecular Mass: 222

Density/Specific Gravity:

Refractive Index:

Normal Boiling Point: 68-69 C

Melting Point:

Critical Temperature: 292.9 °C*

Critical Pressure: 9.2 MPa*

Critical Density: 1.12 g/mL*

Vapor Density: >1 PEL: NE

Flash Point: nonflammable UEL: NA

TLV: NE

LEL: NA

Toxicology: Detailed toxicology not available; possible skin, eye irritation; possible

pulmonary edema.

Reactivities and Chemical Incompatibilities: Thermal decomposition can produce HBr,

CO, CO2, COF, COBr; avoid contact with O2, strong oxidizers, and active metals.

Solubilities: Somewhat soluble in carbon tetrachloride; negligible solubility in water.

207
Mass Spectrum:

100.00

c

<vo

u

o

0)o

c

a<

75.00 -

50.00

25.00

0.00

43 50

1 , 1 -dibromodifluoroethylene

91

79

81

93 141

1 1 1 122

1 10 ,

1 124

i i i—r~i—i i i ill j i i i—i i i

222

220

1 70

203

40.00 80.00

l—r~i—i—i—i—

|—i—r-rn—i—i—i

r~i—pm—

120.00 160.00 200.00 Mass/Charge

224

m/e Abund. m/e Abund. m/e Abund. m/e Abund.

29.00 18188 81.00 101558 124.00 26951 174.00 28523

32.00 650545 91.00 158686 141.00 141954 203.00 5905

34.00 2757 93.00 154064 143.00 137556 220.00 303395

43.00 26269 110.00 12298 170.00 29599 222.00 592184

50.00 30081 111.00 15748 172.00 60688 224.00 296319

79.00 101473 122.00 26909

208


1 1 22B 1 l-bromo-2, 2-difluoroethylene

synonyms: l-bromo-2,2 difluoroethene.

structure:

Br F

H

X

F

C. A. S. Registry Number: NA

Relative Molecular Mass: 142.91

Density/Specific Gravity: 1.82 g/mL (0.5 °C)

Normal Boiling Point: 6 C

Melting Point: NA

Critical Temperature: 183.8 °C*

Critical Pressure: 6.56 MPa*

Critical Density: 0.786 g/mL*

Refractive Index:

Vapor Density: 4.9

FlashPoint: NA

PEL: NE

UEL: NA

TLV: NE

LEL: NA

Toxicology: Detailed toxicology is unknown; assume material to be highly toxic.

Reactivities and Chemical Incompatibilities: Avoid contact with oxidizing agents, halogens

thermal decomposition not investigated.

Solubilities: Somewhat soluble in carbon tetrachloride; negligible solubility in water.

211
Mass Spectrum:

100.00 —

c

V 75.00 O

u

0)o

c

(13 a<

50.00 -

25.00 -

0.00

43 50

51

1 -bromo-2,2-difluoroethylene

63

78 81

71

,72

40.00

i I i i I I I I I

|

I I I I I I I I I

| I I I I I

142

92

91

94

113 123

1 11i 125

60.00 80.00 100.00 Mass/Charge

i

i i i i i i i i i

i

i I i i i i i i i

I i i i 120.00 140.00

m/e Abund. m/e Abund

m/e Abund. m/e Abund

31.00 1019546 63.00 748152 91.00 121403 123.00 82537

43.00 106084 64.00 20319 92.00 266633 124.00 25061

44.00 458099 71.00 37746 94.00 254655 125.00 80657

45.00 28605 72.00 35239 111.00 79481 142.00 1101913

50.00 114993 78.00 306360 113.00 77786 144.00 1077849

51.00 30979 81.00 302267

212


Glossary

Active Metal — A metallic element (or alloy of elements) that reacts easily with a wide

range of chemical compounds. Examples of active metals are the alkali and alkaline earth

metals.

Addictive (substance) — A material for which a chemical or psychological dependence may

develop upon slight to moderate exposure. (See narcotic, narcosis.)

Anesthesia — A temporary, reversible loss of sensation without necessarily a loss of

consciousness.

Anesthetic — A chemical compound that causes temporary and reversible light—headedness,

giddiness, symptoms of intoxication, and some degree of loss of sensory perception.

Ataxia — An inability to coordinate voluntary muscle movement, bearing similarity to the

symptoms of a nervous disease.

Cardiac Sensitizer — A chemical compound that causes tachycardia, or causes an increase

in sensitivity toward epinephrine (adrenaline).

Carcinogen — A substance which can produce cancer in organisms. Carcinogens may be

confirmed or suspected.

Combustible Material — Any material that will burn, regardless of its autoignition

temperature. All flammable materials are also considered combustible, but the term

"combustible" strictly refers to materials that are difficult to ignite or that burn relatively

slowly. A more exact quantification of this term is not possible since many regulatory

agencies impose different limits of combustibility on materials.

Compatibility (chemical) — The ability of two or more chemical compounds to coexist

intact, in an intimately mixed condition, without inducing chemical decomposition or

reaction of any chemical species present in the mixture. In general, physical changes do

not affect chemical compatibility. Thus, if moisture induces a change in crystal structure

of a solid, the two are not considered incompatible.

Conjunctivitis — An inflamation of the conjunctiva, the delicate membrane that lines the

eyelids, often associated with a discharge.

Critical Density - The density of a fluid at its critical temperature.

Critical Pressure — The pressure of a fluid at its critical temperature.

Critical Temperature — The temperature above which a fluid cannot be liquefied by the

application of additional pressure.

Detonation - A rapid reaction of an explosive compound characterized by a high energy

pressure—temperature wave that propagates at sonic velocity or greater.

Dyspnea — Difficulty with or labor in breathing.

215
Explosive Material — A chemical compound that easily detonates as a result of shock, heat, or chemical initiation.

Flammable Material — Any solid, liquid, vapor, or gas which will ignite and burn easily

and rapidly, but not involving a shock wave that propagates at sonic velocity. It should be

noted that the terms "flammable," "explosive," etc., are difficult to quantify with any

degree of precision or uniformity. Any material that will burn at any temperature in any

atmosphere is considered "combustible" by definition. The term flammable applies only to

materials that ignite and burn easily. The distinction between nonflammable and

noncombustible follows from these criteria as well. For example, sodium chloride is noncombustible, sucrose is nonflammable.

Hazardous Polymerization — A polymerization reaction that can release large amounts of

energy, cause fires, or burst typical chemical containers. Chemicals capable of hazardous

polymerization usually contain an inhibitor which slows or prevents the polymerization

reaction.

Lachrymator — A gas or vapor that is strongly irritating to the eyes, usually producing

increased tear flow (lachyrimation).

Mutagen — A chemical that can change the genetic material of an organism.

Narcosis — A reversible condition in an organism characterized by immobility or

significantly reduced or impaired mobility, stupor, insensibility, and a general attitude of

irresponsibility.

Narcotic — A natural or synthetic material that induces coma, produces unconsciousness, or

relieves pain, and that is potentially addictive. While many chemical compounds can have

the biological effects of narcotics (such as chloroform, benzene, etc.), the element of

addiction is present in the case of a narcotic.

Neat Sample — A sample which is not diluted with a solvent.

Pulmonary Edema — An abnormal, diffuse extravascular accumulation of fluid in the

pulmonary tissues and air spaces of organisms due to changes in the hydrostatic pressure

inside the capillaries or changes in the permeability of the capillaries.

Reproductive Affector — A chemical that can cause birth defects or spontaneous abortion of a fetus.

Tachycardia — Excessive rapidity in the action of the heart, usually characterized by a heart rate above 100 beats per minute.

Tumorigen — A chemical that can produce tumor; oncogenic compound.

Ventricular Fibrillation — Arrhythmia characterized by fibrillary contractions of the

ventricular muscle due to rapid repetitive excitation of the myocardial fiber, without the

coordinated concentration of the ventricle.

216
Appendix 1: Lydersen's Method of Critical Property Estimation

This method of critical property estimation is based upon additive group

contributions for the major functionalities [1]. The only required inputs are the chemical

structure of the chemical, the relative molecular mass, and the normal boiling point. The

critical parameters are determined from:

T

c = Tb

(0.567 + SAT

- (SAT) 2

)-1

P

c = M(0.34 + SA

p

) -2

Vc = 40 + SA

y

In the equations above, T is the critical temperature (in K), P is the critical pressure (in

atmospheres), Vcis the critical volume (in cm3 /mol), T^ is the normal boiling point

(in K), and M is the relative molecular mass. The relevant group increments are

summarized in table A1.1:

Table Al.l

Group AT a

p

A

V

CH

3

0.020 0.227 55

-Allj 0.020 0.227 55

J*

1

0.012 0.210 51

=CH

2

0.018 0.198 45

=Ah 0.018 0.198 45 —

0.018 0.224 18

—CI 0.017 0.320 49

—Br 0.010 0.5* 70*

* based on too few experimental data to be reliable.

(Al.l)

(A1.2)

(A1.3)

217
The errors associated with using this method to estimate the critical temperature are

usually less than 2 percent. For fluids of relative molecular mass of 100 or higher, and for

increasingly polar compounds, the error can be expected to increase to approximately 5

percent. Uncertainties are greater for molecules having multifunctional polar groups, such

as glycols. The errors in the critical pressures determined using A1.2 are between 4 and 10

percent, with the higher figure applicable for heavier and more polar molecules. The errors

associated with the determination of the critical volume (and therefore the critical density)

using A1.3 are probably between 5 and 15 percent, since there is much less data available

upon which to base the group contributions.

Reference

[1] Lydersen, A. L., Estimation of Critical Properties of Organic Compounds,

University of Wisconsin College of Engineering Experiment Station Report 3,

Madison, WI, April 1965.

218
Appendix 2: Sources of Toxicology and Physical Properties

1. Toxic and Hazardous Industrial Chemicals Safety Manual, The International

Technical Information Institute, Tokyo, Japan, 1975.

2. Matheson Gas Data Book, The Matheson Company, East Rutherford, NJ.

3. Sax, N. I., Dangerous Properties of Industrial Materials, 6th ed., Van Nostrand

Reinhold, New York, NY, 1984.

4. Verschueren, K., Handbook of Environmental Data on Organic Chemicals, Van

Nostrand Reinhold Co., New York, NY, 1977.

5. Weast, R., CRC Handbook of Chemistry and Physics, 69th ed., CRC Press, Boca

Raton, FL, 1988.

6. Sax, N. I., Cancer Causing Chemicals, Van Nostrand Reinhold, New York, NY,

1981.

7. The Condensed Chemical Dictionary, 8th ed., Van Nostrand Reinhold Co., New

York, NY, 1966.

8. Threshold Limit Values and Biological Exposure Indices for 1988—1989, American

Conference of Governmental Industrial Hygienists, Cincinnati, OH, 1988.

9. Dorland's Illustrated Medical Dictionary, 28th ed., W. B. Saunders Co.,

Philadelphia, PA, 1989.

10. Weiss, G., ed., Hazardous Chemicals Data Book, 2nd ed., Noyes Data Corp., Park

Ridge, NJ, 1986.

11. The Merck Index, Merck and Co., Inc., Rahway, NJ, 1983.

The following DIALOG databases have been used in the preparation of this Technical

Note:

Chemname

Chemical Abstracts

Occupational Safety and Health

Registry of Toxic Effects of Chemical Compounds.

The following BRS database was used in the preparation of this Technical Note:

Hazardline

219
Appendix 3: Refrigerant Code Numbers for Ethane and Ethylene—Based Compounds

The digits in the ANSI/ASHRAE coding system [1] are determined from the

right—hand side of the number.

1. The first digit on the right is the number of fluorine atoms on the molecule. When

there are no fluorines on the molecule, such as in methylene chloride, a zero is assigned to this position.

2. The second digit from the right is one more than the number of hydrogen atoms on

the molecule.

3. The third number from the right is one less than the number of carbon atoms in the

compound. When this digit is zero, as in the case of methane—based fluids, it is omitted.

4. The number of chlorines is found by substracting the sum of the number of fluorine

and hydrogen atoms from the total of the number of atoms that can be connected to

the carbon atoms.

5. For cyclic compounds, an upper case "C" is placed before the identifying number.

6. In those instances where bromine is present in place of several or all of the chlorine

atoms, the same rules apply except that the letter B after the number for the parent

refrigerant shows the presence of bromine. The number to the right of the "B"

indicates the number of bromine atoms present. When isomers of brominated

compounds exist, the position of the bromine atoms are indicated by the Greek

letters a and 0. The Greek letters indicate the carbon atoms of the backbone chain,

starting from the end carbon having the largest sum of atomic weights bonded to it. If more than one bromine is bonded to the same carbon, the Greek letter identifying

that carbon is repeated for each bromine atom.

7. In the case of isomers, each isomer carries the same number. The different isomers

are then indicated by appending lower case a, b, c, etc., to the extreme right—hand

side of the code. The most symmetrical isomer does not have a letter appended.

The letters are appended to the isomers as they become more and more

unsymmetrical. The symmetry is determined by adding the atomic weights of the

atoms bonded to each carbon, and subtracting one sum from another.

8. Unsaturated compounds are indicated by the fourth number from the right, which

indicates the number of double bonds.

Reference

[1] Number Designation and Safety Classification of Refrigerants, ASHRAE standard,

ANSI/ASHRAE 34-1989, American Society of Heating, Refrigerating and

Air—Conditioning Engineers, Atlanta, GA, 1989.

220
Appendix 4: Unit Conversions

The international system of units is described in detail in NBS Special Publication 330 [1] and

lists of physical constants and conversion factors are tabulated by Mechtly [2]. The American Society

for Testing and Materials (ASTM), American National Standards Institute (ANSI), and the Institute

of Electrical and Electronics Engineers (IEEE) have published a joint standard for metric practice

[3]. The most recent guidelines for use of the metric system are given in References 1,2, and 3. Selected unit conversions, [1,4,5] are given in the following tables. The conversions are presented

in matrix format when all of the units are of a convenient order of magnitude. When some of the

unit conversions are of little value (such as the conversion between metric tons and grains), tabular

form is followed, with the less useful units omitted.

References:

[1] The International System of Units (S.I.), National Bureau of Standards (U.S.) Special

Publication SP-330 (July 1986).

[2] Mechtly, E.A., The International System of Units, Physical Constants and Conversion Factors,

NASA Special Publication SP-7012, 1964.

[3] Standard for Metric Practice, ANSI/ASTM E-380-76, IEEE Std. 268-1976 (Jul. 1976).

[4] Chiu, Y., A Dictionary for Unit Conversion, School of Engineering and Applied Science, The

George Washington University, Washington, DC, 20052.

[5] Bruno, T.J., Svoronos, P.D.N., CRC Handbook of Basic Tables for Chemical Analysis, CRC

Press, Boca Raton 1989.

221
Area

MULTIPLY BY TO OBTAIN

square millimeters. .0.00155

1 x 10' 6

0.01

1.2732

square inches (U.S.)

square meters

square centimeters

circular millimeters

square centimeters.

square kilometers.

square inches (U.S).

square feet (U.S.).

..1.196 x

10"*

0.00108

0.15500

1 x 10" 4 100

.0.38610

1.1960 x 106 1.0764 x 107

1 x 106 247.10

.0.00694

0.00077

6.4516 x

10'*

6.4516

645.15

.3.5870 x 10" 8 0.11111

144

0.09290

929.03

2.2957 x 10" 5

square yards

square feet

square inches

square meters

square millimeters

square miles (U.S.)

square yards

square feet

square meters

acres (U.S)

square feet

square yards

square meters

square centimeters

square millimeters

square miles

square yards

square inches

square meters

square centimeters

acres

square miles. .640

3.0967 x 106 2.7878 x 107 2.5900

acres square yards

square feet

square kilometers

222
Density

kg/m3 g/cm3 lb/ft

3

16.018 0.016018 1

1 0.001 0.062428

1 000 1 62.428

2 015.9 2.0159 125.85

Enthalpy, Heat of Vaporization, Heat of Conversion, Specific Energies

kJ/kg

(J/g) cal/g Btu/lb

2.3244 0.55556 1

1 0.23901 0.43022

4.1840 1 1.8

223
Length

MULTIPLY BY TO OBTAIN

angstroms 1 x 10~ 10 meters

3.9370 x 10" 9 inches (U.S.)

1 x 10~ 4 micrometers

1 x 10" 8 centimeters

0.1 nanometers

nanometers 1 x 10" 9 meters

1 x 10" 7 centimeters

10 angstroms

micrometers (\im) 3.9370 x 10" 5 inches (U.S.)

1 x 10" 6 meters

1 x 10~ 4 centimeters

1 x 1Q4 angstroms

millimeters 0.03937 inches (U.S.)

1000 micrometers

centimeters .0.39370 inches (U.S.)

1 x 104 micrometers (\im)

1 x 107 nanometers

1 x 108 angstroms

meters 6.2137 x 10~ 4 miles (statute)

1.0936 yards (U.S.)

39.370 inches (U.S.)

1 x 109 millimicrons

1 x 10 10 angstroms

kilometers 0.53961 miles (nautical)

0.62137 miles (statute)

1093.6 yards

3280.8 feet

inches 0.02778 yards

2.5400 centimeters

2.5400 x 108 angstroms

feet (U.S.) 0.30480 meters

30.480 centimeters

224
Length (const)

yards (U.S.) 5.6818 x lCT* miles

0.9 1 440 meters

91.440 centimeters

miles (nautical) ....................................1.1516 statute miles

2026.8 yards

1.8533 kilometers

miles (U.S. statute) ..........320 rods

0.86836 nautical miles

1.6094 kilometers

1609.4 meters

Parts Per Million

PARTS PER MILLION vs. PERCENT

1 ppm 0.0001%

10 ppm 0.001%

100 ppm 0.01%

1 000 ppm 0.1%

10 000 ppm 1.0%

100 000 ppm 10.0%

1 000 000 ppm 100.0%

225
Pressure

Torr lbs/in2 MPa atm (mm Hg) bar (psi)

6.8948 x 1(T 3 0.068046 51.715 6.8948 x 10"21

1 9.8692 7,500.6 10.0 145.04

0.101325 1 760.0 1.01325 14.696

1.3332 x 10" A 1.3158 x 10" 3

1 1.332 x 10" 3 0.019337

0.1 0.98692 750.06 1 14.504

Specific Heat, Entropy

kJ/(kg-k)

J/(g-K)

Btu (°R-lb)

4.184 1

1 0.23901

226
Specific Volume

m3/kg

(L/g) cm3/g ft

3/lb

0.062428 62.428 1

1 1 000 16.018

0.001 1 0.016018

Surface Tension

N/m dyne/cm lb/in

175.13 175.13 x 103

1

1 1 000 5.7102 x 10" 6

0.001 1 5.7102 x 10" 3

Temperature

T(rankine) = 1.8T(kelvin)

T(celsius) = T(kelvin) - 273.15

T(fahrenheit) = T(rankine) - 459.67

T(fahrenheit) = 1.8T(celsius) + 32

227
Thermal Cood n <i e ym

mW/(cm-K) J/(s-cm-K) cal/(s-cm-K) Efu/(ft-hr-°R)

17.296 0.017296 0.0041338 1

1 0.001 2.3901 x 10" 4 0.057816

1 000 1 0.23901 57.816

4 184 4.184 1 241.90

ATT TT TTTDT V D 1 1U Ul> 1 Ali>

reet per minute.......... ..................0.01136 miles per hour

0.01829 kilometers per hour

0.5080 centimeter per second

0.01667 feet per second

feet per second...................... 0.6818 miles per hour

1.097 kilometers per hour

30.48 centimeter per second

03048 meters per second

0.5921 knots

knots (Br.) 1.0 nautical miles per hour

1.6889 feet per second

1.1515 miles per hour

1.8532 kilometers per hour

0.5148 meters per second

meters per second 3.281 feet per second

2.237 miles per hour

3.600 kilometers per hour

miles per hour 1.467 feet per second

0.4470 meters per second

1.609 kilometers per hour

0.8684 knots

228
Velocity of Sound

m/s ft/s

0.3048 i

1 3.2808

Viscosity

kg/(m-s)

(N-s/m2

, Pas)

CP

(10-2g/(cm-s))

lb-s/ft2

(slug/(ft-s)) lb/(ft-s)

1.48816 1 488.16 0.31081 1

1 1 000 0.020885 0.67197

0.001 1 2.0885 x 10" 5 6.7197 x 10" A

47.881 4.7881 x 10~ 4 1 32.175

229
(

Volume

MULTIPLY BY TO OBTAIN

barrels (pet) 42 gallons (U.S.)

34.97 gallons (Br.)

cubic centimeters 10" 3 liters 0.0610 cubic inches

cubic feet 28317 cubic centimeters

1728 cubic inches

0.03704 cubic yards

7.481 gallons (U.S., liq.)

28.317 liters

cubic inches 16.387 cubic centimeters

0.016387 liters 4.329 x 10" 3 gallons (U.S., liq.)

0.01732 quarts (U.S., liq.)

gallons, imperial ...277.4 cubic inches

1.201 U.S. gallons

4.546 liters

gallons, U.S.

(liquid) 231 cubic inches

0.1337 cubic feet

3.785 liters 0.8327 imperial gallons

128 fluid ounces (U.S.

nnnrps fluid 29 57 cuhic \* U l_/ 1 v cpntimetprs vvli L 1 i i 1W Iv 1 o 1.805 cubic inches

liters 0.2642 gallons

0.0353 cubic feet

1.0567 quarts (U.S., liq.)

61.025 cubic inches

quarts, U.S.

(liquid) 0.0334 cubic feet

57.749 cubic inches

0.9463 liters

230
Mass (weight)

MULTIPLY BY TO OBTAIN

milligrams 2.2046 x 10" 6 3.5274 x 10~ 5 0.01543

1 x 10"6

pounds (avoirdupois) ounces (avoirdupois)

grains

kilograms

micrograms 1 x 10" 6 grams

grams 0.00220

0.03527

15.432

1 x 106

pounds (avoirdupois) ounces (avoirdupois)

grains

micrograms

kilograms 0.00110

2.2046

35.274

1.5432 x 10*

tons (short)

pounds (avoirdupois) ounces (avoirdupois)

grains

grains 1.4286 x 10" A 0.00229

0.06480

64.799

pounds (avoirdupois) ounces (avoirdupois)

grams

milligrams

ounces (avoirdupois) 3.1250 x 10~ 5 0.06250

437.50

28.350

tons (short)

pounds (avoirdupois)

grains

grams

pounds (avoirdupois) 5 x

10"*

16

7000

0.45359

453.59

tons (short) ounces (avoirdupois)

grains

kilograms

grams

tons (short, U.S.) 2000

3.200 x 10A 907.19

pounds (avoirdupois) ounces (avoirdupois)

kilograms

2240

1016

pounds (avoirdupois)

kilograms

tons (metric) 1000

2205

1.102

kilograms

pounds (avoirdupois)

tons (short)

231
Prefixes for SI Units

Fraction Prefix Symbol

10' 1 deci d

10" 2 centi c

10~ 3 milli m

10

-6 micro

10

- 9 nano n

10" 12 pico P

10" 15 femto f

10~ 18 atto a

Multiple Prefix Symbol

10 deka da

102 hecto h

103 kilo k

106 mega M

109 giga G

10 12 tera T

10 15 peta P

1018 exa E

232
Recommended Values of Physical Constants

Physical constant Symbol Value

Avogadro constant A6.022 05 x 1023 mol" 1

Boltzmann constant k 1.380 66 x 10" 23 J-K" 1

charge to mass ratio e/m 1.758 796 x 10 11 C-kg" 1

electronic charge e 1.602 19 x 10" 19 C

Faraday constant F 9.648 46 x 104 C-mol" 1

gas constant R 8.314 J K" 1 mol" 1

'ice point' temperature T-A ice 273.150 K (exactly)

molar volume of ideal gas (stp) Vm2.241 38 x 10"2 m^mol" 1

permittivity of vacuum eo8.854 188 x 10" 12 kg" 1 m

-3.s

4.A2

( F. m-1)

Planck constant h 6.626 2 x 10" 3A J-s

standard atmosphere pressure P 101 325 N-m"2 (exactly)

atomic mass unit mu 1.660 566 x 10

-27 kg

speed of light in vacuum c 2.997 925 x 108 m-s' 1

233

BL-114A U.S. DEPARTMENT OF COMMERCE

(5-90) NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY

BIBLIOGRAPHIC DATA SHEET

1. PUBLICATION OR REPORT NUMBER

NIST/SP-794

2. PERFORMING ORGANIZATION REPORT NUMBER

3. PUBUCATION DATE August 1990

4. TITLE AND SUBTITLE

Spectroscopic Library for Alternative Refrigerant Analysis

5. AUTHOR(S) Thomas J . Bruno

6. PERFORMING ORGANIZATION (IF JOINT OR OTHER THAN NIST, SEE INSTRUCTIONS)

U.S. DEPARTMENT OF COMMERCE

NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY

BOULDER, COLORADO 80303-3328

7. CONTRACT/GRANT NUMBER

8. TYPE OF REPORT AND PERIOD COVERED

Final

9. SPONSORING ORGANIZATION NAME AND COMPLETE ADDRESS (STREET, CITY, STATE, ZIP) Department of Energy

Office of Building and Community Systems

1000 Independence Ave., SW

Washington, DC 20585

10. SUPPLEMENTARY NOTES

1 1 . ABSTRACT (A 200-WORD OR LESS FACTUAL SUMMARY OF MOST SIGNIFICANT INFORMATION. IF DOCUMENT INCLUDES A SIGNIFICANT BIBLIOGRAPHY OR

UTERATURE SURVEY, MENTION IT HERE.)

This Special Publication contains infrared and mass spectra for a wide range of chlorofluoro-bromo ethanes and ethylenes that are relevant to research on alternative refrigerants.

Alternative refrigerants are working fluids that are thought not to contribute significantly

to atmospheric ozone depletion. In addition to the spectroscopic data, some physical property

and safety information is included for each fluid as well. Not all of the compounds covered

in this publication can be used as refrigerants. Indeed, some of them are in fact solids under

ambient conditions, and others are fully halogenated, thus making them unfavorable from an ozone depletion standpoint. The study of all of these materials is important, however, since many

will be found as impurities or reaction/decomposition products of refrigerant fluids. This

publication provides a signal source for some particularly useful analytical information needed

in the identification of these compounds.

12. KEY WORDS (6 TO 12 ENTRIES; ALPHABETICAL ORDER; CAPITALIZE ONLY PROPER NAMES; AND SEPARATE KEY WORDS BY SEMICOLONS)

alternative refrigerants; chemical analysis; infrared spectrophotometry; mass spectrometry;

safety

13. AVAILABILITY

X

UNLIMITED FOR OFFICIAL DISTRIBUTION. DO NOT RELEASE TO NATIONAL TECHNICAL INFORMATION SERVICE (NTIS). ORDER FROM SUPERINTENDENT OF DOCUMENTS, U.S. GOVERNMENT PRINTING OFFICE, WASHINGTON, DC 20402. ORDER FROM NATIONAL TECHNICAL INFORMATION SERVICE (NTIS), SPRINGFIELD, VA 22161.

14. NUMBER OF PRINTED PAGES

192

15. PRICE

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