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

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Substance:
J Lymer / R Reuter, Wardell
1,2-Dichloropropane CAS Number: 78-87-5
Assessor A: Assessor B:
Armstrong
D Brooks, Sirius
Final Review: Panel/SF
Chemical Formula: C
Phase at Ambient
3H 6Cl 2 liquid
Tempertaure
Date: 11-Mar-09
Date: 14-Apr-09
Date: 28/08/2009
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
Henry's Law Constant (HLC) Pa m3 mol-1 n/a 1.24E+02 10
Solubility (S) 10 oC where
possible. (Use unit
converter if source provides
different units)
mg/L
n/a
n/a
112.99
2.05E+03
n/a
10
Value from consistent
range
Measured value at
temperature required for
CLEA
No Consistent range at 10
degress - use most recent
source
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 112.99 n/a 112.99 n/a 112.99 n/a 112.99 n/a 112.99 n/a 112.99 n/a 112.98 n/a 113 n/a
112.99 112.99 n/a 112.99 112.99 n/a 112.99 112.99 n/a 112.99 112.99 n/a 112.99 112.99 n/a 112.99 112.99 n/a 112.98 112.98 n/a 113 113 n/a
atm m3 mol-1
Conservative
value adopted
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)
Geomean 2.10E+02 25 #VALUE! 25 2.01E+02 25 1.24E+02 10 2.98E+02 25 2.85E+02 25 2.74E+02 25
2.07E-03 2.10E+02 ND #VALUE! 2.98E+02 298 1.22E-03 123.6165 2.94E-03 297.8955 3.40E-01 2.95E+02 2.70E-03 273.5775
31.21 31.21 0.4 2.51E+02
280 280 0.37 2.71E+02
210 210 0.34 2.95E+02
25
25
286 286 n/a
n/a
n/a
0.37 2.71E+02
25
10
25
362 362 0.3 3.34E+02
25
25
233 233 0.38 2.64E+02
0.34 2.95E+02
0.35 2.87E+02
0.34 2.95E+02
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 2.74E+03 25 #VALUE! 25 2.58E+03 10 #VALUE! 2.05E+03 10 2.70E+03 20 #VALUE! 2.80E+03 25
2.74E+03 2.74E+03 ND #VALUE! 2.30E+03 2.30E+03 ND #VALUE! 2.05E+03 2.05E+03 2.70E+03 2.70E+03 ND #VALUE! 2.80E+03 2.80E+03
2800 2.80E+03
2680 2.68E+03
25
25
10
10
20
25
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
3.70E+02
n/a
Median value from
consistent range
Average 3.70E+02 n/a 3.70E+02 n/a 3.70E+02 n/a 3.69E+02 n/a 3.69E+02 n/a 3.70E+02 n/a 3.70E+02 n/a 3.70E+02 n/a
96.37 369.52 n/a 96.4 369.55 n/a 96.4 369.55 n/a 95 368.15 n/a 96.22 369.37 n/a 96.4 369.55 n/a 370 370.00 n/a 96.4 369.55 n/a
n/a n/a n/a 96 369.15 n/a 96 369.15 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)
Log Octanol - Water
Coefficient
Molar Volume
(Le Bas method)
Enthalpy of Vaporisation at
normal boiling point
(EVNBP)
Chemical Critical Point
temperature
(ambient pressure)
Critical Pressure
K
Dimensionless
cm3 mol-1
J Mol-1
K 572.4097125 572.4
atm
n/a
n/a
n/a
32283.17636
1.73E+02
1.99
n/a
n/a
115.8 n/a
3.23E+04
Normal
Chemical
Boiling Point
n/a
Median value from
consistent range
Medium confidence in
central value from
consistent range
Very low confidence /
single reported value
Calculated value in
agreement with
measured values
Calculated value in
agreement with
measured value
Average 1.73E+02 n/a 1.73E+02 n/a 1.73E+02 n/a Insert Values n/a 1.73E+02 n/a 1.73E+02 n/a 1.73E+02 n/a 1.73E+02 n/a
-100.44 172.71 n/a -100.4 172.75 n/a -100.53 172.62 n/a n/a -100.4 172.75 n/a -100.4 172.75 n/a 172.75 172.75 n/a -100.4 172.75 n/a
n/a n/a n/a n/a n/a n/a 172.62 172.62 n/a n/a
n/a n/a n/a n/a n/a n/a 172.73 172.73 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)
Average 1.99E+00 n/a Insert Values n/a 1.99E+00 n/a Insert Values n/a 2.00E+00 n/a 2.28E+00 n/a Insert Values n/a 2.00E+00 n/a
1.99 1.99 n/a ND ND n/a 2 2.00 n/a ND ND n/a 1.99 1.99 n/a 2.28 2.28 n/a ND ND n/a 2 2.00 n/a
n/a n/a 1.98 1.98 n/a n/a 2 2.00 n/a n/a n/a n/a
n/a n/a 1.99 1.99 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
Only available value from reliable s 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
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 n/a n/a
Average 1.16E+02 n/a
115.8 115.80 n/a
KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 Ref. Temp (C)
Average #VALUE! 3.13E+04 #VALUE!
n/a
n/a
n/a
ND #VALUE! n/a n/a n/a
n/a
n/a
n/a
n/a
n/a
n/a
ND #VALUE!
Normal
Normal
30.5 30500
Boiling
Boiling
Point
Point
32.004 32004
K K Ref. Temp (C)
o C K Ref. Temp (C) K K Ref. Temp (C)
o C K Ref. Temp (C)
Average Insert Values n/a #VALUE! n/a 5.78E+02 n/a #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
ND ND n/a ND #VALUE! n/a 578 578.00 n/a ND #VALUE! n/a
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! 4.59E+01
Calculated value in
ND #VALUE! 46.5 45.8919319
41.80578495 41.81
agreement with
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
measured value
Normal
Boiling
Point
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 7.193E-02 10
Estimated from
parameters
above using
Clapyron
relationship or
direct calculation
Vapour pressure at
ambient soil
temperature
Pa 3072.314426 10
Estimated
from
parameters
above using
Grain-Watson
method
Diffusion
coefficient in
air
m 2 .s -1 7.74E-06 10
Estimated
from
parameters
above using
Wilkie-Lee
method
Diffusion
coefficient in
water
m 2 .s -1 5.95E-10 10
Estimated
from
parameters
above using
Hayduk and
Laudie
method
Organic
carbon-water
partition
coefficient
Log cm 3 .g -1 1.71 n/a
Estimated
from
parameters
above using
equation in
Table 2.12 of
SR7
Page 1 of 1 EIC proforma 1,2-dichloropropane.xls 28/08/2009