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<br />
Substance: Bromo<strong>for</strong>m<br />
CAS Number: 75-25-2<br />
Assessor A: J Brown - DTS Raeburn Assessor B: A. Fellows - Ecologia Final review: Panel/SF<br />
Chemical Formula: CHBr3<br />
Phase at Ambient<br />
Liquid<br />
Tempertaure<br />
Date: 03-Apr-09<br />
Date: 06-Apr-09<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<br />
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 g mol -1<br />
n/a<br />
252.73<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 252.73 n/a 252.731 n/a 252.731 n/a 252.73 n/a 252.73 n/a #VALUE! n/a 252.73 n/a #VALUE! n/a<br />
252.73 252.73 n/a 252.731 252.731 n/a 252.731 252.731 n/a 252.73 252.73 n/a 252.73 252.73 n/a no data #VALUE! n/a 252.73 252.73 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 />
Solubility (S) 10 oC where<br />
possible. (Use unit<br />
converter if source provides<br />
different units)<br />
Pa m3 mol-1<br />
mg/L<br />
n/a<br />
n/a<br />
4.70E+01<br />
3.00E+03<br />
25<br />
25<br />
No consistent range -<br />
geomean value from<br />
most recent review<br />
chosen (Lide 2008)<br />
No consistent range -<br />
geomean value from<br />
most recent review<br />
chosen (Lide 2008)<br />
Geomean 5.42E+01 25 4.70E+01 25 6.20E+01 25 5.39E+01 25 #VALUE! 25 5.45E+01 25 #VALUE! 25<br />
5.35E-04 5.42E+01 4.70E-02 4.70E+01 6.20E+01 62 5.32E-04 53.9049 no data #VALUE! 1.70E+00 5.90E+01 no data #VALUE!<br />
1.4 7.16E+01<br />
1.9 5.28E+01<br />
2.3 4.36E+01<br />
25<br />
25<br />
25<br />
n/a<br />
n/a<br />
n/a<br />
2 5.02E+01<br />
25<br />
25<br />
1.9 5.28E+01<br />
25<br />
25<br />
2.3 4.36E+01<br />
1.7 5.90E+01<br />
1.8 5.57E+01<br />
1.6 6.27E+01<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 3.10E+03 25 3.00E+03 25 3.08E+03 25 3.60E+03 3.13E+03 25 #VALUE! #VALUE! #VALUE!<br />
3.10E+03 3.10E+03 3.00E+00 3000 3.10E+03 3.10E+03 3.60E+03 3.60E+03 3.13E+03 3.13E+03 no data #VALUE! no data #VALUE! no data #VALUE!<br />
3033 3.03E+03<br />
3110 3.11E+03<br />
25<br />
25<br />
25<br />
25<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 />
4.22E+02<br />
n/a<br />
Median value chosen as<br />
central value of<br />
consistent range<br />
Average 4.23E+02 n/a 4.22E+02 n/a 4.22E+02 n/a 4.22E+02 n/a 4.23E+02 n/a #VALUE! n/a 4.22E+02 n/a #VALUE! n/a<br />
149.5 422.65 n/a 149.1 422.25 n/a 149.1 422.25 n/a 149 422.15 n/a 149.5 422.65 n/a no data #VALUE! n/a 422 422.00 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 />
2.81E+02<br />
n/a<br />
Median value chosen as<br />
central value of<br />
consistent range<br />
Average 2.81E+02 n/a 2.82E+02 n/a 2.82E+02 n/a 2.81E+02 n/a 2.81E+02 n/a #VALUE! n/a 2.79E+02 n/a #VALUE! n/a<br />
8.3 281.45 n/a 8.69 281.84 n/a 8.69 281.84 n/a 7.5 280.65 n/a 8.3 281.45 n/a no data #VALUE! n/a 279 279.00 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 />
2.38<br />
n/a<br />
Median value chosen as<br />
central value of<br />
consistent range<br />
Average 2.37E+00 n/a 2.38E+00 n/a 2.45E+00 n/a Insert Values n/a 2.38E+00 n/a Insert Values n/a Insert Values n/a Insert Values n/a<br />
2.37 2.37 n/a 2.38 2.38 n/a 2.67 2.67 n/a no data no data n/a 2.38 2.38 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 2.3 2.30 n/a n/a n/a n/a n/a n/a<br />
n/a n/a 2.38 2.38 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 />
Molar Volume<br />
(Le Bas method)<br />
cm3 mol-1<br />
n/a<br />
9.95E+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<br />
Average 9.95E+01 n/a<br />
99.5 99.50 n/a<br />
n/a n/a n/a<br />
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<br />
n/a<br />
Enthalpy of Vaporisation at<br />
normal boiling point<br />
(EVNBP)<br />
J Mol-1<br />
36826.34887<br />
3.68E+04<br />
Normal<br />
Chemical<br />
Boiling Point<br />
Calculated value chosen -<br />
this is similar to range of<br />
reported values<br />
KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 Ref. Temp (C)<br />
Average 3.97E+04 Insert Values #VALUE!<br />
n/a<br />
n/a<br />
n/a<br />
39.66 39660<br />
Normal<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 695.4462515 695.4<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 60.13801309 60.14<br />
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<br />
n/a<br />
n/a<br />
n/a n/a n/a<br />
<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 8.09E-03 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 305 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 7.56E-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 6.51E-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 2.03 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 bromo<strong>for</strong>m.xls 28/08/2009
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