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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<br />

Substance: Cis 1,2 Dichloroethene CAS Number: 156-59-2<br />

Assessor A: Claire Potter<br />

Assessor B: Catherine Helm<br />

Final Review Panel/SF<br />

Chemical Formula: C2H2Cl2<br />

Phase at Ambient<br />

Liquid<br />

Tempertaure<br />

Date: 01-Apr-09<br />

Date: 29/05/2009<br />

Date: 28/08/2009<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 MERCK, 2006 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 g mol -1<br />

n/a<br />

96.94<br />

n/a<br />

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)<br />

Median value from consistent<br />

Average 96.94 n/a 96.943 n/a 96.943 n/a 96.94 n/a 96.94 n/a Insert Values n/a 96.9427 n/a Insert Values n/a<br />

range of literature values<br />

96.94 96.94 n/a 96.943 96.943 n/a 96.943 96.943 n/a 96.94 96.94 n/a 96.94 96.94 n/a n/a 96.9427 96.9427 n/a n/a<br />

Henry's Law Constant<br />

(HLC)<br />

Solubility (S) 10 oC where<br />

possible. (Use unit<br />

converter if source<br />

provides different units)<br />

Pa m3 mol-1<br />

mg/L<br />

n/a<br />

n/a<br />

4.60E+02<br />

7.55E+03<br />

25<br />

10<br />

Adopted value is that from the<br />

newest source (Lide 2008) as<br />

there is no consistent range<br />

Median of three literature values<br />

which show consistent range at<br />

10 degrees<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 />

Geomean 3.41E+02 25 4.60E+02 25 5.56E+02 25 9.21E+02 25 Insert Values 25 4.09E+02 25 Insert Values 25<br />

3.37E-03 3.41E+02 4.60E-01 4.60E+02 3.42E+02 342.2 9.09E-03 921.04425 2.40E-01 4.18E+02<br />

745.5 745.5 0.26 3.86E+02<br />

674.5 674.5 0.24 4.18E+02<br />

25<br />

25<br />

Two calculated<br />

values not<br />

included (1970<br />

and 2370)<br />

n/a<br />

n/a<br />

n/a<br />

25<br />

0.23 4.36E+02<br />

0.25 4.01E+02<br />

0.21 4.78E+02<br />

0.27 3.71E+02<br />

0.22 4.56E+02<br />

0.3 3.34E+02<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 3.50E+03 7.60E+03 10 4.27E+03 25 Insert Values 6.28E+03 25 Insert Values 7.55E+03 10 Insert Values<br />

3.50E+03 3.50E+03 7.60E+00 7600 3.52E+03 3.52E+03 6.26E+03 6.26E+03 7.55E+03 7.55E+03<br />

3500 3.50E+03 6300 6.30E+03<br />

3500 3.50E+03<br />

7700 7.70E+03<br />

No reference<br />

7,550 mg/l at<br />

temperature<br />

10oC<br />

provided<br />

25<br />

12 values<br />

provided, only 9<br />

included as 3<br />

were stated to be<br />

0.13 one of which<br />

is was unclear<br />

how value had<br />

been obtained<br />

25<br />

Chemical Boiling Point<br />

(ambient pressure)<br />

K<br />

n/a<br />

3.33E+02<br />

n/a<br />

Median value from consistent<br />

range of literature values<br />

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)<br />

Average 3.33E+02 n/a 3.33E+02 n/a 3.33E+02 n/a 3.33E+02 n/a 3.21E+02 n/a Insert Values n/a 3.33E+02 n/a Insert Values n/a<br />

60.3 333.45 n/a 60.1 333.25 n/a 60.1 333.25 n/a 59.6 332.75 n/a 47.5 320.65 n/a n/a 333.34 333.34 n/a n/a<br />

n/a n/a n/a 60 333.15 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) 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)<br />

Chemical Melting Point<br />

(ambient pressure)<br />

Log Octanol - Water<br />

Coefficient<br />

Molar Volume<br />

(Le Bas method)<br />

Enthalpy of Vaporisation at<br />

normal boiling point<br />

(EVNBP)<br />

K<br />

Dimensionless<br />

cm3 mol-1<br />

J Mol-1<br />

n/a<br />

n/a<br />

n/a<br />

29732.73616<br />

1.93E+02<br />

1.86<br />

8.62E+01<br />

2.97E+04<br />

n/a<br />

n/a<br />

n/a<br />

Normal<br />

Chemical Boiling<br />

Point<br />

Median value from consistent<br />

range of values<br />

Median value from consistent<br />

range of values<br />

Single available value<br />

Calculated Value<br />

Average 1.93E+02 n/a 1.93E+02 n/a 1.93E+02 n/a 1.92E+02 n/a removed value<br />

Insert Values n/a 1.93E+02 n/a Insert Values n/a<br />

-80.5 192.65 n/a -80 193.15 n/a -80 193.15 n/a -81.5 191.65 n/a -50 223.15 from median as<br />

n/a 193 193.00 n/a n/a<br />

n/a n/a n/a n/a sig higher than the<br />

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

n/a n/a n/a n/a other 5<br />

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 />

Average 1.86E+00 n/a 1.86E+00 n/a 1.86E+00 n/a Insert Values n/a 2.08E+00 n/a Insert Values n/a Insert Values n/a Insert Values n/a<br />

1.86 1.86 n/a 1.86 1.86 n/a 1.86 1.86 n/a n/a 2.06 2.06 n/a n/a n/a n/a<br />

n/a n/a 1.86 1.86 n/a n/a 2.09 2.09 n/a n/a n/a n/a<br />

n/a n/a 1.85 1.85 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 />

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

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

Average n/a n/a n/a n/a n/a n/a 8.62E+01 n/a<br />

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<br />

86.2 86.20 n/a<br />

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

Average 3.02E+04 3.09E+04 3.10E+04<br />

n/a<br />

n/a<br />

n/a<br />

30.2 30200 31.57 31570 29 29000<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<br />

Normal Boiling 30.23 30230 Normal Boiling<br />

33 33000 Normal Boiling<br />

n/a<br />

n/a<br />

n/a<br />

Point<br />

Point<br />

30.9 30900 Point<br />

Chemical Critical Point<br />

temperature<br />

(ambient pressure)<br />

K<br />

526.8153773<br />

5.27E+02<br />

n/a<br />

Calculated Value<br />

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

Average 5.44E+02 n/a Insert Values n/a Insert Values n/a Insert Values n/a<br />

n/a n/a n/a 544.2 544.20 n/a n/a n/a n/a<br />

n/a n/a<br />

n/a<br />

n/a<br />

n/a<br />

n/a n/a<br />

n/a n/a<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 Insert Values Insert Values<br />

Critical Pressure atm 51.19955043 51.20<br />

Calculated Value n/a n/a n/a n/a n/a n/a<br />

n/a n/a 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 7.461E-02 10<br />

Estimated from<br />

parameters above<br />

using Clapyron<br />

relationship or direct<br />

calculation<br />

Vapour pressure at<br />

ambient soil<br />

temperature<br />

Pa 13685.6591 10<br />

Estimated from<br />

parameters<br />

above using<br />

Grain-Watson<br />

method<br />

Diffusion<br />

coefficient in air<br />

m 2 .s -1 9.02E-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 7.08E-10 10<br />

Estimated<br />

from<br />

parameters<br />

above using<br />

Hayduk and<br />

Laudie<br />

method<br />

Organic carbonwater<br />

partition<br />

coefficient<br />

Log cm 3 .g -1 1.61 n/a<br />

Estimated<br />

from<br />

parameters<br />

above using<br />

equation in<br />

Table 2.12 of<br />

SR7<br />

Page 3 of 3<br />

EIC Pro<strong>for</strong>ma cis 1,2 dichloroethene.xls28/08/2009

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