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Soil Generic Assessment Criteria for Human Health Risk ... - ESdat

Soil Generic Assessment Criteria for Human Health Risk ... - ESdat Soil Generic Assessment Criteria for Human Health Risk ... - ESdat

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www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 Bromodichloromethane CAS 75-27-4 Assessor A: J Brown - DTS Raeburn Assessor B: D Dyson, URS Final review: Panel/SF Date 21/05/2009 Date 25/03/2009 Date 09/09/2009 US Agency for Toxic Substances and Disease Registry (ATSDR) Toxicological Profiles and Minimal Risk Levels drinking water 30 ug/day Surveys of BDCM levels in chlorinated public drinking water systems across the United States have revealed that BDCM is present in most systems at concentrations Furlong and D'itri 1986; Symons et al. 1975). The estimated exposure of the general human population to BDCM from drinking water, assuming a median BDCM concentration of 0.014 mg/L and a water intake for an adult of 2.18 L/day, would be 0.03 mg/day (EPA 1980a). Low levels of exposure might also occur by inhalation of BDCM volatilized from chlorinated water (e.g., while showering, cooking, or swimming), or by dermal contact with such water. Based on a chemical structure analogy to chloroform, an estimated dermal exposure to BDCM in a child swimming two hours/day in a saline pool would typically be 0.003 mg/day, with a maximum of 0.04 mg/day (Beech 1980). Higher exposure levels might occur through ingestion of water contaminated with BDCM near a waste site, but available data suggest that this is not a common occurrence. US Agency for Toxic Substances and Disease Registry (ATSDR) Toxicological Profiles and Minimal Risk Levels Dec-89 drinking water 40 ug/day Max mean in water of 20ug/l. Adjusted for 2l consumption ATSDR, Toxological Profile for Bromodichlormethane, 1989 www.atsdr.cdc.gov/ USEPA Health Advisories drinking water 16 ug/day Mean of finished concs of 8.2μg/l (surface water) and 7.9μg/l (groundwater) for large-scale US supplies >100,000 persons (Disinfectants and Disinfection By products (D/DBPs) ICR Data, U.S. EPA (2001a)). Converted assuming 2L/day consumed. see page IV - 1 http://www.epa.gov/waterscience/c riteria/drinking/brthm- 200605(508).pdf USEPA Health Advisories Nov-05 drinking water 40 ug/day converted from published mean of 20ug/l for surface water, assuming 2L/day conscumed Toxicological Data Network (TOXNET) Other EPA Office of Water, Drinking Water Criteria Document for Brominated Trihalomethanes, 2005 MDI Recommended MDIinhal Units 15 ug day-1 www.epa.gov/waterscience/criteria /drinking/ http://toxnet.nlm.nih.gov/ Justification: Most conservative value from most recent study (USEPA, 2005). Published mean. Note: MDI not required as assumed to be non threhold compound Organisation Date Media Value Units Description Reference Web link US Agency for Toxic Substances and Disease Registry (ATSDR) Toxicological Profiles and Minimal Risk Levels Dec-89 air 1.1ppt (mean value) ATSDR, Toxological Profile for Bromodichlormethane, 1989 www.atsdr.cdc.gov/ USEPA Health Advisories Nov-05 outdoor air 13.4 ug/day converted from published mean of 0.67ug/m3 EPA Office of Water, Drinking Water Criteria Document for Brominated Trihalomethanes, 2005 USEPA Health Advisories Nov-05 indoor air 15 ug/day converted from published mean of 0.75ug/m3 EPA Office of Water, Drinking Water Criteria Document for Brominated Trihalomethanes, 2005 Toxicological Data Network (TOXNET) air 74.2 ug/day converted from max value of 3.71 ug/m3 assuming adult breathes 20 m3/d 1990 drinking water 48 ug/day converted from 24ug/l assuming 2L/day consumed http://toxnet.nlm.nih.gov/cgibin/sis/search/f./temp/~92koTn:2 http://toxnet.nlm.nih.gov/cgibin/sis/search/f./temp/~92koTn:2 www.epa.gov/waterscience/criteria /drinking/ www.epa.gov/waterscience/criteria /drinking/ http://toxnet.nlm.nih.gov/ Page 2 of 2 EIC_proforma_bromodichloromethane 09/09/2009

www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 Substance: Bromodichloromethane CAS Number: 75-27-4 Assessor A: J Brown - DTS Raeburn Assessor B: D Dyson, URS Final review: Panel/SF Chemical Formula: CHBrCL2 Phase at Ambient Liquid Tempertaure Date: 21-May-09 Date: 25-Mar-09 Date: 09/09/2009 http://srdata.nist.gov/solubility/ http://webbook.nist.gov/chemistry/ http://cs3-hq.oecd.org/scripts/hpv/ A B C D E F G H Property Units Calculated Value Adopted Value Ref. Temp (C) Rationale References HOWARD, 1990 LIDE, 2008 MACKAY et al, 2006 MERCK, 2006 MONTGOMERY, 2007 MONTGOMERY, 1997 NIST, 2005 OECD, 2000 Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Required Parameters Relative Molecular Mass g mol -1 n/a 163.83 n/a Median value chosen as central value of consistent range g mol -1 g mol -1 Ref. Temp (C) g mol -1 g mol -1 Ref. Temp (C) g mol -1 g mol -1 Ref. Temp (C) g mol -1 g mol -1 Ref. Temp (C) g mol -1 g mol -1 Ref. Temp (C) g mol -1 g mol -1 Ref. Temp (C) g mol -1 g mol -1 Ref. Temp (C) g mol -1 g mol -1 Ref. Temp (C) Average 163.83 n/a 163.829 n/a 163.829 n/a 163.83 n/a 163.83 n/a #VALUE! n/a 163.828 n/a #VALUE! n/a 163.83 163.83 n/a 163.829 163.829 n/a 163.829 163.829 n/a 163.83 163.83 n/a 163.83 163.83 n/a no data #VALUE! n/a 163.828 163.828 n/a no data #VALUE! n/a atm m3 mol-1 Pa m3 mol-1 Ref. Temp (C) KPa m3 mol-1 Pa m3 mol-1 Ref. Temp (C) Pa m3 mol-1 Pa m3 mol-1 Ref. Temp (C) n/a n/a n/a atm m3 mol-1 Pa m3 mol-1 Ref. Temp (C) atm m3 mol-1 Pa m3 mol-1 Ref. Temp (C) mol kg-1 bar-1 Pa m3 mol-1 Ref. Temp (C) atm m3 mol-1 Pa m3 mol-1 Ref. Temp (C) Henry's Law Constant (HLC) Pa m3 mol-1 n/a 1.62E+02 25 No consistent range - value from most recent review chosen (Montgomery 2007) Geomean 1.62E+02 20 #VALUE! 1.72E+02 20 1.62E+02 25 #VALUE! 25 2.22E+02 25 #VALUE! 25 1.60E-03 1.62E+02 no data #VALUE! 1.62E+02 20 1.60E-03 162.12 no data #VALUE! 4.00E-01 2.51E+02 no data #VALUE! 162 162 20 0.4 2.51E+02 162 162 20 0.51 1.97E+02 192 192 20 0.63 1.59E+02 185 185 20 0.43 2.33E+02 n/a n/a n/a 20 152 152 20 25 25 0.48 2.09E+02 25 25 185 185 20 0.46 2.18E+02 0.35 2.87E+02 Solubility (S) 10 oC where possible. (Use unit converter if source provides different units) mg/L n/a 3.00E+03 30 No consistent range - value from most recent review chosen (Lide 2008) mg/L mg/L Ref. Temp (C) g/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) Geomean 4.70E+03 22 3.00E+03 30 2.97E+03 30 #VALUE! 3.00E+03 30 #VALUE! #VALUE! #VALUE! 4.70E+03 4.70E+03 3.00E+00 3000 2.97E+03 2.97E+03 No data #VALUE! 2.97E+03 2.97E+03 no data #VALUE! no data #VALUE! no data #VALUE! 3031 3.03E+03 22 30 30 30 o C K Ref. Temp (C) o C K Ref. Temp (C) o C K Ref. Temp (C) o C K Ref. Temp (C) o C K Ref. Temp (C) o C K Ref. Temp (C) K K Ref. Temp (C) o C K Ref. Temp (C) Chemical Boiling Point (ambient pressure) K n/a 3.63E+02 n/a Median value chosen as central value of consistent range Average 3.63E+02 n/a 3.63E+02 n/a 3.63E+02 n/a 3.62E+02 n/a 3.63E+02 n/a #VALUE! n/a 3.63E+02 n/a #VALUE! n/a 90 363.15 n/a 90 363.15 n/a 90 363.15 n/a 88.4 361.55 n/a 90.1 363.25 n/a no data #VALUE! n/a 363 363.00 n/a no data #VALUE! n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a o C K Ref. Temp (C) o C K Ref. Temp (C) o C K Ref. Temp (C) o C K Ref. Temp (C) o C K Ref. Temp (C) o C K Ref. Temp (C) K K Ref. Temp (C) o C K Ref. Temp (C) Chemical Melting Point (ambient pressure) K n/a 2.16E+02 n/a Median value chosen as central value of consistent range Average 2.16E+02 n/a 2.16E+02 n/a 2.16E+02 n/a #VALUE! n/a 2.16E+02 n/a #VALUE! n/a 2.16E+02 n/a #VALUE! n/a -57.1 216.05 n/a -57 216.15 n/a -57 216.15 n/a No data #VALUE! n/a -57.1 216.05 n/a no data #VALUE! n/a 216 216.00 n/a no data #VALUE! n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Log Octanol - Water Coefficient Dimensionless n/a 2.02E+00 n/a Median value chosen as central value of consistent range Average 2.10E+00 n/a Insert Values n/a 2.02E+00 n/a Insert Values n/a 1.99E+00 n/a Insert Values n/a Insert Values n/a Insert Values n/a 2.1 2.10 n/a no data no data n/a 1.88 1.88 n/a No data No data n/a 1.88 1.88 n/a no data no data n/a No data No data n/a no data no data n/a n/a n/a 2.1 2.10 n/a n/a 2.1 2.10 n/a n/a n/a n/a n/a n/a 2.1 2.10 n/a n/a n/a n/a n/a n/a n/a n/a 2 2.00 n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a Molar Volume (Le Bas method) cm3 mol-1 n/a 9.47E+01 n/a single literature value cm3 mol-1 cm3 mol-1 Ref. Temp (C) n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a Average 9.47E+01 n/a 94.7 94.70 n/a n/a n/a n/a n/a Enthalpy of Vaporisation at normal boiling point (EVNBP) J Mol-1 32357.73477 3.24E+04 Normal Chemical Boiling Point Calculated value chosen KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 Ref. Temp (C) Average #VALUE! #VALUE! #VALUE! n/a n/a n/a no data #VALUE! Normal no data #VALUE! Normal n/a n/a n/a n/a n/a n/a n/a n/a n/a no data #VALUE! Normal Boiling Boiling Boiling Point Point Point n/a n/a n/a K K Ref. Temp (C) o C K Ref. Temp (C) K K Ref. Temp (C) o C K Ref. Temp (C) Chemical Critical Point Average Insert Values n/a #VALUE! n/a Insert Values n/a #VALUE! n/a temperature K 585.8543164 585.85 n/a Calculated value chosen n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a no data no data n/a no data #VALUE! n/a no data no data n/a no data #VALUE! n/a (ambient pressure) n/a n/a n/a n/a n/a n/a n/a n/a Bar Atmosph Ref. Temp (C) Bar Atmosph Ref. Temp (C) Average #VALUE! #VALUE! no data #VALUE! no data #VALUE! Critical Pressure atm 57.36143692 57.36 Calculated value chosen n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a Calcuated parameters for input to CLEA model (UPDATED FROM THE SPREADSHEET TOOL) Property Units Calculated Value Ref. Temp (C) Rationale Property Units Calculated Value Ref. Temp (C) Rationale Property Units Calculated Value Ref. Temp (C) Rationale Property Units Calculated Value Ref. Temp (C) Rationale Property Units Calculated Value Ref. Temp (C) Rationale Air-water partition coefficient at ambient soil temperature cm 3 .cm -3 3.19E-02 10 Estimated from parameters above using Clapyron relationship or direct calculation Vapour pressure at ambient soil temperature Pa 3789 10 Estimated from parameters above using Grain-Watson method Diffusion coefficient in air m 2 .s -1 8.16E-06 10 Estimated from parameters above using Wilkie-Lee method Diffusion coefficient in water m 2 .s -1 6.70E-10 10 Estimated from parameters above using Hayduk and Laudie method Organic carbon-water partition coefficient Log cm 3 .g -1 1.74 n/a Estimated from parameters above using equation in Table 2.12 of SR7 Page 1 of 1 EIC_proforma_bromodichloromethane 09/09/2009

www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948<br />

Substance: Bromodichloromethane CAS Number: 75-27-4<br />

Assessor A: J Brown - DTS Raeburn Assessor B: D Dyson, URS<br />

Final review: Panel/SF<br />

Chemical Formula: CHBrCL2<br />

Phase at Ambient<br />

Liquid<br />

Tempertaure<br />

Date: 21-May-09<br />

Date: 25-Mar-09<br />

Date: 09/09/2009<br />

http://srdata.nist.gov/solubility/<br />

http://webbook.nist.gov/chemistry/ http://cs3-hq.oecd.org/scripts/hpv/<br />

A<br />

B<br />

C<br />

D<br />

E<br />

F<br />

G<br />

H<br />

Property Units Calculated Value Adopted Value Ref. Temp (C)<br />

Rationale<br />

References<br />

HOWARD, 1990<br />

LIDE, 2008<br />

MACKAY et al, 2006<br />

MERCK, 2006<br />

MONTGOMERY, 2007<br />

MONTGOMERY, 1997<br />

NIST, 2005<br />

OECD, 2000<br />

Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C)<br />

Required Parameters<br />

Relative Molecular Mass<br />

g mol -1<br />

n/a<br />

163.83<br />

n/a<br />

Median value chosen as<br />

central value of<br />

consistent range<br />

g mol -1 g mol -1<br />

Ref. Temp (C)<br />

g mol -1 g mol -1<br />

Ref. Temp (C)<br />

g mol -1 g mol -1<br />

Ref. Temp (C)<br />

g mol -1 g mol -1<br />

Ref. Temp (C)<br />

g mol -1 g mol -1<br />

Ref. Temp (C)<br />

g mol -1 g mol -1<br />

Ref. Temp (C)<br />

g mol -1 g mol -1<br />

Ref. Temp (C)<br />

g mol -1 g mol -1<br />

Ref. Temp (C)<br />

Average 163.83 n/a 163.829 n/a 163.829 n/a 163.83 n/a 163.83 n/a #VALUE! n/a 163.828 n/a #VALUE! n/a<br />

163.83 163.83 n/a 163.829 163.829 n/a 163.829 163.829 n/a 163.83 163.83 n/a 163.83 163.83 n/a no data #VALUE! n/a 163.828 163.828 n/a no data #VALUE! n/a<br />

atm m3 mol-1 Pa m3 mol-1 Ref. Temp (C) KPa m3 mol-1 Pa m3 mol-1 Ref. Temp (C) Pa m3 mol-1 Pa m3 mol-1 Ref. Temp (C) n/a n/a n/a atm m3 mol-1 Pa m3 mol-1 Ref. Temp (C) atm m3 mol-1 Pa m3 mol-1 Ref. Temp (C) mol kg-1 bar-1 Pa m3 mol-1 Ref. Temp (C) atm m3 mol-1 Pa m3 mol-1 Ref. Temp (C)<br />

Henry's Law Constant (HLC)<br />

Pa m3 mol-1<br />

n/a<br />

1.62E+02<br />

25<br />

No consistent range -<br />

value from most recent<br />

review chosen<br />

(Montgomery 2007)<br />

Geomean 1.62E+02 20 #VALUE! 1.72E+02 20 1.62E+02 25 #VALUE! 25 2.22E+02 25 #VALUE! 25<br />

1.60E-03 1.62E+02 no data #VALUE! 1.62E+02 20 1.60E-03 162.12 no data #VALUE! 4.00E-01 2.51E+02 no data #VALUE!<br />

162 162 20 0.4 2.51E+02<br />

162 162 20 0.51 1.97E+02<br />

192 192 20 0.63 1.59E+02<br />

185 185 20 0.43 2.33E+02<br />

n/a<br />

n/a<br />

n/a<br />

20<br />

152 152 20 25 25<br />

0.48 2.09E+02 25<br />

25<br />

185 185 20 0.46 2.18E+02<br />

0.35 2.87E+02<br />

Solubility (S) 10 oC where<br />

possible. (Use unit<br />

converter if source provides<br />

different units)<br />

mg/L<br />

n/a<br />

3.00E+03<br />

30<br />

No consistent range -<br />

value from most recent<br />

review chosen (Lide 2008)<br />

mg/L mg/L Ref. Temp (C) g/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C)<br />

Geomean 4.70E+03 22 3.00E+03 30 2.97E+03 30 #VALUE! 3.00E+03 30 #VALUE! #VALUE! #VALUE!<br />

4.70E+03 4.70E+03 3.00E+00 3000 2.97E+03 2.97E+03 No data #VALUE! 2.97E+03 2.97E+03 no data #VALUE! no data #VALUE! no data #VALUE!<br />

3031 3.03E+03<br />

22<br />

30<br />

30<br />

30<br />

o C K Ref. Temp (C)<br />

o C K Ref. Temp (C)<br />

o C K Ref. Temp (C)<br />

o C K Ref. Temp (C)<br />

o C K Ref. Temp (C)<br />

o C K Ref. Temp (C) K K Ref. Temp (C)<br />

o C K Ref. Temp (C)<br />

Chemical Boiling Point<br />

(ambient pressure)<br />

K<br />

n/a<br />

3.63E+02<br />

n/a<br />

Median value chosen as<br />

central value of<br />

consistent range<br />

Average 3.63E+02 n/a 3.63E+02 n/a 3.63E+02 n/a 3.62E+02 n/a 3.63E+02 n/a #VALUE! n/a 3.63E+02 n/a #VALUE! n/a<br />

90 363.15 n/a 90 363.15 n/a 90 363.15 n/a 88.4 361.55 n/a 90.1 363.25 n/a no data #VALUE! n/a 363 363.00 n/a no data #VALUE! n/a<br />

n/a n/a n/a n/a n/a n/a n/a n/a<br />

n/a n/a n/a n/a n/a n/a n/a n/a<br />

o C K Ref. Temp (C)<br />

o C K Ref. Temp (C)<br />

o C K Ref. Temp (C)<br />

o C K Ref. Temp (C)<br />

o C K Ref. Temp (C)<br />

o C K Ref. Temp (C) K K Ref. Temp (C)<br />

o C K Ref. Temp (C)<br />

Chemical Melting Point<br />

(ambient pressure)<br />

K<br />

n/a<br />

2.16E+02<br />

n/a<br />

Median value chosen as<br />

central value of<br />

consistent range<br />

Average 2.16E+02 n/a 2.16E+02 n/a 2.16E+02 n/a #VALUE! n/a 2.16E+02 n/a #VALUE! n/a 2.16E+02 n/a #VALUE! n/a<br />

-57.1 216.05 n/a -57 216.15 n/a -57 216.15 n/a No data #VALUE! n/a -57.1 216.05 n/a no data #VALUE! n/a 216 216.00 n/a no data #VALUE! n/a<br />

n/a n/a n/a n/a n/a n/a n/a n/a<br />

n/a n/a n/a n/a n/a n/a n/a n/a<br />

Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C)<br />

Log Octanol - Water<br />

Coefficient<br />

Dimensionless<br />

n/a<br />

2.02E+00<br />

n/a<br />

Median value chosen as<br />

central value of<br />

consistent range<br />

Average 2.10E+00 n/a Insert Values n/a 2.02E+00 n/a Insert Values n/a 1.99E+00 n/a Insert Values n/a Insert Values n/a Insert Values n/a<br />

2.1 2.10 n/a no data no data n/a 1.88 1.88 n/a No data No data n/a 1.88 1.88 n/a no data no data n/a No data No data n/a no data no data n/a<br />

n/a n/a 2.1 2.10 n/a n/a 2.1 2.10 n/a n/a n/a n/a<br />

n/a n/a 2.1 2.10 n/a n/a n/a n/a n/a n/a<br />

n/a n/a 2 2.00 n/a n/a n/a n/a n/a n/a<br />

n/a n/a n/a n/a n/a n/a n/a n/a<br />

n/a n/a n/a n/a n/a n/a n/a n/a<br />

n/a n/a n/a n/a n/a n/a n/a n/a<br />

n/a n/a n/a n/a n/a n/a n/a n/a<br />

n/a n/a n/a n/a n/a n/a n/a n/a<br />

n/a n/a n/a n/a n/a n/a n/a n/a<br />

Molar Volume<br />

(Le Bas method)<br />

cm3 mol-1<br />

n/a<br />

9.47E+01<br />

n/a<br />

single literature value<br />

cm3 mol-1 cm3 mol-1 Ref. Temp (C)<br />

n/a<br />

n/a<br />

n/a<br />

n/a<br />

n/a<br />

n/a n/a n/a n/a n/a n/a<br />

n/a<br />

n/a<br />

n/a n/a n/a n/a<br />

Average 9.47E+01 n/a<br />

94.7 94.70 n/a<br />

n/a<br />

n/a<br />

n/a<br />

n/a<br />

Enthalpy of Vaporisation at<br />

normal boiling point<br />

(EVNBP)<br />

J Mol-1<br />

32357.73477<br />

3.24E+04<br />

Normal<br />

Chemical<br />

Boiling Point<br />

Calculated value chosen<br />

KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 Ref. Temp (C)<br />

Average #VALUE! #VALUE! #VALUE!<br />

n/a<br />

n/a<br />

n/a no data #VALUE!<br />

Normal<br />

no data #VALUE!<br />

Normal<br />

n/a n/a n/a<br />

n/a<br />

n/a<br />

n/a<br />

n/a<br />

n/a<br />

n/a no data #VALUE!<br />

Normal<br />

Boiling<br />

Boiling<br />

Boiling<br />

Point<br />

Point<br />

Point<br />

n/a<br />

n/a<br />

n/a<br />

K K Ref. Temp (C)<br />

o C K Ref. Temp (C) K K Ref. Temp (C)<br />

o C K Ref. Temp (C)<br />

Chemical Critical Point<br />

Average Insert Values n/a #VALUE! n/a Insert Values n/a #VALUE! n/a<br />

temperature<br />

K 585.8543164 585.85<br />

n/a Calculated value chosen<br />

n/a n/a n/a n/a n/a<br />

n/a<br />

n/a<br />

n/a<br />

n/a<br />

n/a<br />

n/a<br />

n/a<br />

no data no data n/a no data #VALUE! n/a no data no data n/a no data #VALUE! n/a<br />

(ambient pressure)<br />

n/a n/a n/a n/a<br />

n/a n/a n/a n/a<br />

Bar Atmosph Ref. Temp (C) Bar Atmosph Ref. Temp (C)<br />

Average #VALUE! #VALUE!<br />

no data #VALUE! no data #VALUE!<br />

Critical Pressure atm 57.36143692 57.36 Calculated value chosen n/a n/a n/a n/a n/a n/a n/a<br />

n/a<br />

n/a<br />

n/a n/a n/a<br />

n/a n/a n/a<br />

n/a n/a n/a<br />

Calcuated parameters <strong>for</strong> input to CLEA model (UPDATED FROM THE SPREADSHEET TOOL)<br />

Property Units Calculated Value Ref. Temp (C) Rationale Property Units<br />

Calculated<br />

Value<br />

Ref. Temp (C) Rationale Property Units<br />

Calculated<br />

Value<br />

Ref. Temp (C) Rationale Property Units<br />

Calculated<br />

Value<br />

Ref. Temp (C) Rationale Property Units<br />

Calculated<br />

Value<br />

Ref. Temp (C)<br />

Rationale<br />

Air-water partition<br />

coefficient at ambient soil<br />

temperature<br />

cm 3 .cm -3 3.19E-02 10<br />

Estimated from<br />

parameters<br />

above using<br />

Clapyron<br />

relationship or<br />

direct calculation<br />

Vapour pressure at<br />

ambient soil<br />

temperature<br />

Pa 3789 10<br />

Estimated<br />

from<br />

parameters<br />

above using<br />

Grain-Watson<br />

method<br />

Diffusion<br />

coefficient in<br />

air<br />

m 2 .s -1 8.16E-06 10<br />

Estimated<br />

from<br />

parameters<br />

above using<br />

Wilkie-Lee<br />

method<br />

Diffusion<br />

coefficient in<br />

water<br />

m 2 .s -1 6.70E-10 10<br />

Estimated<br />

from<br />

parameters<br />

above using<br />

Hayduk and<br />

Laudie<br />

method<br />

Organic<br />

carbon-water<br />

partition<br />

coefficient<br />

Log cm 3 .g -1 1.74 n/a<br />

Estimated<br />

from<br />

parameters<br />

above using<br />

equation in<br />

Table 2.12 of<br />

SR7<br />

Page 1 of 1 EIC_pro<strong>for</strong>ma_bromodichloromethane 09/09/2009

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