DISCLAIMER 

This report is the property of Clariant. 

Its content is confidential and not for general 

release. It is not allowed to cite and reveal the report or its 

content to a third party without prior written approval of 

Clariant. 

REPORT 

Leu co Sulfur Black 1 

Calculation of the Vapor Pressure 

Data Requirements I 

Test Guidelines: 

Study Director: 

Test Facility: 

Sponsor: 

Study Identification: 

Version: 

Study Completion Date: 

EU Directive 92/69/EEC, A.4 

OECD Guideline No. I 04 

Ms Mirjam Weissenfeld 

Harlan Laboratories Ltd. 

Zelgliweg 1 

4452 Itingen I Switzerland 

Clariant Products (Switzerland) Ltd. 

Rothausstrasse 61 

4132 Muttenz 1/ Switzerland 

Harlan Laboratories Study C30953 

Final 

July 16, 2009 

Page 1 of 11 

3tjS15f7 

harlanTM 

... 
Harlan Laboratories Study C30953 

Leuco Sulfur Black 1 

CONTENTS 

Report Page2 

CONTENTS .................................................................................................................................... 2 

SIGNATURES ................................................................................................................................ 3 

PREFACE ....................................................................................................................................... 4 

General Information ............................................................................................................... 4 

Responsibilities ...................................................................................................................... 4 

Schedule ................................................................................................................................. 4 

Data Requirements I Test Guidelines .................................................................................... 4 

Archiving ............................................................................................................................... 5 

1 SUMMARY ........................................................................................................................... 6 

2 PURPOSE .............................................................................................................................. 7 

3 MATERIALS AND METHODS ........................................................................................... 8 

3.1 Testltem .................................................................................................................. 8 

3.2 Calculation Method ................................................................................................. 8 

3.2.1 Principle ..................................................................................................... 8 

3.2.2 Calculation of the Vapor Pressure ............................................................. 9 

4 RESULTS AND DISCUSSION .......................................................................................... 10 

5 REFERENCES .................................................................................................................... 11 
Harlan Laboratories Study C30953 

Leuco Sulfur Black I 

SIGNATURES 

Study Director: 

Report Page3 

Ms Mirjam Weissenfeld 
Harlan Laboratories Study C30953 

Leuco Sulfur Black I 

PREFACE 

General Information 

Test Item: 

Study Title: 

Sponsor: 

Study Monitor: 

Test Facility: 

Responsibilities 

Study Director: 

Deputy Study Director: 

Reporting: 

Schedule 

Study Completion Date: 

Report 

Leuco Sulfur Black 1 

Calculation of the Vapor Pressure 

Clariant Products (Switzerland) Ltd. 

Rothausstrasse 61 

4132 Muttenz 1 I Switzerland 

Dr Bruno Kunz 

Harlan Laboratories Ltd. 

Zelgliweg 1 

4452 Itingen I Switzerland 

Ms Mirjam Weissenfeld 

Dr Jens Franke 

Ms Mirjam Weissenfeld 

July 16, 2009 

Data Requirements I Test Guidelines 

Page4 

This study followed the procedures indicated by the following internationally accepted 

guidelines and recommendations: 

• EU Directive 92/69/EEC, Part A, Methods for the determination of physico-chemical 

properties, A.4 "Vapour Pressure", EEC Publication No. L383, December 1992. 

• OECD Guideline for Testing of Chemicals, Guideline No. 104, "Vapour Pressure", 

adopted July 27, 1995. 
Harlan Laboratories Study C30953 

Leuco Sulfur Black 1 

Archiving 

Report Page 5 

Harlan Laboratories Ltd., 4452 Itingen/Switzerland will retain the raw data, a sample of test item 

and the final report of the present study for at least ten years. 

No data will be discarded without the Sponsor's written consent. 
Harlan Laboratories Study C30953 

Leuco Sulfur Black I 

1 SUMMARY 

Report 

The vapor pressure ofLeuco Sulfur Black 1 was estimated to be 

below 1.8 x 10-7 Pa at 25 °C 

Page6 

based on the boiling point determined in study C30931 and using the Modified Watson 

Correlation. 
Harlan Laboratories Study C30953 

Leuco Sulfur Black 1 

2 PURPOSE 

Report Page 7 

The purpose of this study was to calculate the vapor pressure of Leuco Sulfur Black 1 at 25 °C. 

The vapor pressure is a function of the temperature and is specified in Pascal (Pa) or in 

atmospheres (atm). One atmosphere equals 1.013 x 105 Pa. 
Harlan Laboratories Study C30953 

Leuco Sulfur Black 1 

Report Page 8 

3 MATERIALS AND METHODS 

3.1 Test Item 

Data of test item as supplied by the Sponsor. 

Identification: 

CAS No.: 

Description: 

Batch Number: 

Composition: 

Stability of the test item: 

Expiry date: 

Storage Conditions: 

Safety Precautions: 

3.2 Calculation Method 

3.2.1 Principle 

Leuco Sulfur Black 1 

66241-11-0 

Thixotrophic, black, wet paste 

ESA0007595 

Leuco Sulfur Black 1: 52.75% (calculated by amount 

of by-compounds) 

2,4-Dinitrochlorobenzene: < 20 ppm 

2,4-Dinitrophenole: < 20 ppm 

Sulfate: 970 ppm 

Chloride: 750 ppm 

Sodium: 1.3% (w/w) 

Water: 45.75% (w/w) by Karl-Fischer titration 

Stable under storage conditions 

July 11, 2011 

At room temperature (range 20 +/- 5°C), light 

protected 

Routine hygienic procedures will be used to ensure the 

health and safety of the personnel 

If the vapor pressure of Leuco Sulfur Black 1 is expected to be so small that the value is below 

the measurement range of an experimental determination (e.g. the gas saturation method), then 

the vapor pressure can also be calculated, using the Modified Watson Correlation. This method 

is described by Lyman et al. (1990). 

This method calculates the vapor pressure from the boiling point of the test item. 
Harlan Laboratories Study C30953 

Leuco Sulfur Black 1 

Report Page 9 

3.2.2 Calculation of the Vapor Pressure 

Using the boiling point of Leuco Sulfur Black 1, the vapor pressure was calculated using the 

Modified Watson Correlation: 

with: 

Where: 

Pvp 

Hvb 

Zb 

R 

Tb 

Tbp 

T 

m 

Kr 

In(P ) = H [ vb • 1- (3- 2 · T bp ) m - 2 · m · (3- 2 · T )m-l • In(T ) l vp Z·R·T T bp bp b b bp 

Kr · (8.75 + R · InTb) 

vapor pressure [atmospheres] 

Heat of vaporization at the boiling point [cal/mol] 

Compressibility factor(= 0.97) 

Gas constant [1.987 cal/mol/K] 

Boiling point ofLeuco Sulfur Black 1 =above 673 K 

T/Tb 

Temperature at which the vapor pressure is to be calculated [K] = 298 K 

Empirical factor depending on the physical state at T and depending on T bp 

(here 1.19) 

Empirical factor considering the polarity of the test item (1.06) 
Harlan Laboratories Study C30953 

Leuco Sulfur Black I 

Report 

4 RESULTS AND DISCUSSION 

Page 10 

The estimation of the vapor pressure of Leuco Sulfur Black 1 was based on the EEC directive 

92/69, Part A, Methods for the determination of physico-chemical properties, A.4 "Vapour 

Pressure", EEC Publication No. L383, December 1992 and the OECD Guideline No. I 04, 

"Vapour Pressure", adopted July 27, 1995. 

The boiling point of Leuco Sulfur Black 1 was determined in study C30931. In this study the 

DSC showed an endothermic heat effect at 99.9°C. This temperature is not the true boiling point 

of the test item as it only reflects the boiling point of the water contained by the test item. The 

DSC shows no further endothermic heat effect up to 400°C. Thus, the boiling point of the Leuco 

Sulfur Black 1 can be regarded as being above 400°C. 

Based on this boiling point, the vapour pressure ofLeuco Sulfur Black 1 was calculated being 

below 1.8 x 10-7 Pa at 25 oc 

based on the boiling point calculated and using the Modified Watson Correlation. 
Harlan Laboratories Study C30953 

Leuco Sulfur Black 1 

5 REFERENCES 

Report Page 11 

[1] W.J. Lyman, W.F. Reehl and D.H. Rosenblatt (ed.), Handbook of Chemical Property 

Estimation Methods, McGraw-Hill, NY (1990). 
CONTAINS NO CBI