United States Environmental

Environmental Protection Research Laboratory

Agency Athens, GA 30605-2700

Research and Development EPA/600/SR-95/039 March 1995

Environmental Fate

Constants for Additional 27

Organic Chemicals Under

Consideration for EPA’s

Hazardous Waste Identification

Projects

Project Summary

Under Section 301 of the Resource

Conservation and Recovery Act, The

U.S. Environmental Protection Agency’s

(EPA’s) Office of Solid Waste is in the

process of identifying chemicals to be

considered in projects called the hazardous waste identification projects. At

this time, there are more than 200

chemical constituents identified in

these projects. A previous publication

(EPA/600/R-93/132) addressed environmental fate constants and chemical hydrolysis pathways for 189 organic

chemicals. This publication addresses

an additional 27 organic chemicals.

Chemical hydrolysis is addressed.

Sorption coefficients are presented. The

ionization constant is given when this

process affects sorption in the environmental pH range. Additionally, values for water solubility, Henry’s law

constant, vapor pressure, and diffusivity are reported.

This Project Summary was developed

by EPA’s Environmental Research

Laboratory, Athens, GA, to announce

key findings of the research project

that is fully documented in a separate

report (see Project Report ordering information at back).

Synopsis of Report

Each chemical is structurally presented

and the potential for chemical hydrolysis

is addressed. Computed values for water

solubility, octanol/water partition coefficient, organic-carbon-normalized sediment/water partition coefficient, Henry’s

law constant, vapor pressure, and

diffusivity are given at 25°C. A short definition is given for each parameter. The

organic-carbon-normalized sediment/water partition coefficient is given with consideration of ionization if this process

occurs within the environmental pH range.

Heinz P. Kollig
2

Table 1. Data for Physical and Chemical Process Parameters

Chemical Henry’s

Abstract Water Law Con- Vapor Diffusivity

Service Solubility Sorption Sorption stant (atm- Pressure in Air

Common Name No. (mg/L) Log Koc Logow m3/mol) (torr) (cm2/s) Hydrolysis

1. Anthracene 120-12-7 7.6E-2 4.21 4.53 1.9E-5 6.1E-6 0.055 NHFG

2. Benzenethiola 108-98-5 7.6E2 1.32 2.35 4.4E-4 2.4 0.076 NLFG

pka = 6.5 oxidizes

3. Benzo[g,h,i]perylene 191-24-2 1.2E-4 6.28 6.60 1.2E-7 4.0E-11 0.039 NHFG

4. Benzo[k]fluoranthene 207-08-9 9.4E-4 6.0 6.3 5.0E-7 1.4E-9 0.041 NHFG

5. Bromobenzene 108-86-1 4.1E2 2.43 2.75 2.1E-3 4.2 0.073 NLFGb

6. n-Butylbenzene 104-51-8 21 3.8 4.1 9.7E-3 1.1 0.060 NHFG

7. sec-Butylbenzene 135-98-8 38 3.6 3.9 9.8E-3 2.1 0.061 NHFG

8. Carbazole 86-74-8 4.0E-1 3.3 3.6 8.6E-7 1.6E-6 0.062 NHFG

9. Crotonaldehyde 4170-30-3 1.3E5 -0.06 0.26 3.1E-5 4.5E1 0.093

10. Dibenzofuran 132-64-9 4.3 3.8 4.1 1.4E-4 2.7E-3 0.059 NHFG

11. 1,2,3,4,6,7,8- 67562-39-4 9.5E-7 8.20 8.52 3.7E-5 6.5E-11 0.043 NLFG

Heptachlorodibenzofuran

12. 1,2,3,4,7,8,9- 55673-89-7 1.3E-6 8.2 8.5 3.8E-5 9.5E-11 0.043 NLFG

Heptachlorodibenzofuran

13. 1,2,3,4,6,7,8- 35822-46-9 1.9E-7 8.53 8.85 4.1E-5 1.4E-11 0.043 NLFG

Heptachlorodibenzo-p-dioxin

14. 1,2,3,4,7,8- 70648-26-9 7.3E-6 7.54 7.86 4.2E-5 6.3E-10 0.045 NLFG

Hexachlorodibenzofuran

15. 1,2,3,6,7,8- 57117-44-9 6.9E-6 7.55 7.87 4.2E-5 5.9E-10 0.045 NLFG

Hexachlorodibenzofuran

16. 1,2,3,7,8,9- 72918-21-9 7.3E-6 7.55 7.87 4.3E-5 6.4E-10 0.045 NLFG

Hexachlorodibenzofuran

17. 2,3,4,6,7,8- 60851-34-5 7.6E-6 7.54 7.86 4.1E-5 6.3E-10 0.045 NLFG

Hexachlorodibenzofuran

18. 2-Hexanone 591-78-6 1.8E4 1.0 1.3 8.7E-5 1.2E1 0.072 NHFG

19. Indene 95-13-6 3.9E2 2.5 2.8 5.0E-4 1.3 0.071 NHFG

20. p-Isopropyltoluene 99-87-6 28 3.7 4.0 9.3E-3 1.5 0.060 NHFG

21. 2-Methylchrysene 3351-32-4 8.5E-4 5.82 6.14 1.2E-6 3.1E-9 0.044 NHFG

22. 1-Methylnaphthalene 90-12-0 40 3.52 3.84 2.8E-4 6.6E-2 0.060 NHFG

23. 3-Methylnaphthalene 91-57-6 33 3.54 3.86 3.0E-4 5.8E-2 0.061 NHFG

(continued)
3

Table 1. (Continued)

Chemical Henry’s

Abstract Water Law Con- Vapor Diffusivity

Service Solubility Sorption Sorption stant (atm- Pressure in Air

Common Name No. (mg/L) Log Koc Logow m3/mol) (torr) (cm2/s) Hydrolysis

24. Phenanthrene 85-01-8 1.1 4.25 4.57 2.3E-5 1.0E-4 0.055 NHFG

25. n-Propylbenzene 103-65-1 57 3.35 3.67 9.9E-3 3.6 0.065 NHFG

26. 1,2,4-Trimethyl- 95-63-6 70 3.28 3.60 4.9E-3 2.2 0.065 NHFG

benzene

27. 1,3,5-Trimethyl- 108-67-8 67 3.37 3.69 6.3E-3 2.7 0.065 NHFG

benzene

a. Values reported are for neutral species.

b. Bromobenzene was tested in the laboratory for hydrolysis. No disappearance was noted after 29 days at 85°C in 0.1N sodium hydroxide and 0.1N

hydrochloric acid.
4

Heinz P. Kollig (also the EPA Project Officer, see below) is with the Environmental

Research Laboratory, Athens, GA 30605-2700.

The complete report, entitled “Environmental Fate Constants for Additional 27

Organic Chemicals Under Consideration for EPA’s Hazardous Waste Identification Projects,” (Order No. PB95-188074; Cost: $17.50, subject to change) will be

available only from

National Technical Information Service

5285 Port Royal Road

Springfield, VA 22161

Telephone: 703-487-4650

The EPA Project Officer can be contacted at

Environmental Research Laboratory

U.S. Environmental Protection Agency

Athens, GA 30605-2700

United States

Environmental Protection Agency

Center for Environmental Research Information

Cincinnati, OH 45268

Official Business

Penalty for Private Use

$300

EPA/600/SR-95/039

BULK RATE

POSTAGE & FEES PAID

EPA

PERMIT No. G-35