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

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Substance: 1,1-dichloroethane
CAS Number: 75-34-3
Assessor A J Thornton, Golder Associates Assessor B N Dixon, Worley Parsons Final Review Panel/SF
Chemical Formula: C2H4Cl2
Phase at Ambient
Liquid
Tempertaure
Date: 16-Apr-09
Date: 06-May-09
Date: 28/08/2009
http://srdata.nist.gov/solubility/
http://webboK.nist.gov/chemistry/
A
B
C
D
E
F
G
HOWARD, 1990 LIDE, 2008
MACKAY et al, 2006
MERCK, 2006
MONTGOMERY, 2007
MONTGOMERY, 1997
NIST, 2005
Property
Units Calculated Value Adopted Value Ref. Temp (C) Rationale
References
Ref. Temp
Ref. Temp
Ref. Temp
Ref. Temp
Ref. Temp
Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units
Source Units SR7 Units
Source Units SR7 Units
Source Units SR7 Units
Source Units SR7 Units
(C)
(C)
(C)
(C)
(C)
Required Parameters
http://cs3-hq.oecd.org/scripts/hpv/
H
OECD, 2000
Ref. Temp
Source Units SR7 Units
(C)
Relative Molecular Mass
g mol -1
n/a
98.96
n/a
5 identical values in
consistent range.
g -1 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)
mol g mol -1
Ref. Temp (C)
Average 98.96 n/a 98.959 n/a 98.96 n/a 98.96 n/a 98.96 n/a #VALUE! n/a 98.9586 n/a #VALUE! n/a
98.96 98.96 n/a 98.959 98.959 n/a 98.96 98.96 n/a 98.96 98.96 n/a 98.96 98.96 n/a no data #VALUE! n/a 98.9586 98.9586 n/a #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
5.95E+02
25
2 values the same from a
consistent range.
Geomean 5.95E+02 25 6.30E+02 25 5.47E+02 25 5.55E+02 25 #VALUE! 25 5.95E+02 25 #VALUE!
5.87E-03 5.95E+02 6.30E-01 6.30E+02 5.84E+02 584 5.45E-03 552.22125 no data #VALUE! 5.90E+02 no data #VALUE!
436 436 6.25E-03 633.28125 6.27E+02
714.9 714.9 5.85E-03 592.75125 5.02E+02
569 569 5.56E-03 563.367 5.57E+02
594.9 594.9 5.05E-03 511.69125 5.90E+02
561 561 0.00484 490.413 6.27E+02
438.8 438.8 5.90E+02
25
25
594.6 594.6 n/a
n/a
n/a
5.90E+02
25
25
25
552 552 6.69E+02
5.57E+02
5.57E+02
25
439 439 5.90E+02
594.6 594.6 7.72E+02
5.57E+02
5.90E+02
5.90E+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 5.06E+03 25 5.00E+03 25 5.24E+03 20 #VALUE! 5.59E+03 10 #VALUE! 3.67E+03 10 #VALUE!
5.06E+03 5.06E+03 5.00E+00 5000 5.00E+03 5.00E+03 #VALUE! 5.59E+03 5.59E+03 no data #VALUE! 7.44E+03 7.44E+03 no data #VALUE!
5190 5.19E+03 5910 5.91E+03
5500 5.50E+03 6099 6.10E+03
5030 5.03E+03 674 6.74E+02
5500 5.50E+03
Solubility (S) 10 oC where
possible. (Use unit
converter if source
provides different units)
mg/L n/a 3.666E+03 10
Only 2 sources had 10
degrees C data. NIST data
was selected since it is
based on several studies
and is reasonable based
on the other data at 20
and 25 degrees C.
25
25
20
10
10
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
3.3045E+02
n/a
4 values the same in
consistent range.
Average 3.30E+02 n/a 3.30E+02 n/a 3.30E+02 n/a 3.30E+02 n/a 3.30E+02 n/a #VALUE! n/a 3.31E+02 n/a #VALUE! n/a
57.3 330.45 n/a 57.3 330.45 n/a 57 330.15 n/a 57.3 330.45 n/a 57.3 330.45 n/a no data #VALUE! n/a 330.5 330.50 n/a #VALUE! n/a
n/a n/a 57.3 330.45 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
1.7600E+02
n/a
3 values the same (to 3
sig. figures) in consistent
range.
Average 1.76E+02 n/a 1.76E+02 n/a 1.761E+02 n/a 1.75E+02 n/a 1.7575E+02 n/a #VALUE! n/a 1.7573E+02 n/a Insert Values n/a
-96.98 176.17 n/a -96.9 176.25 n/a -96.7 176.45 n/a -98 175.15 n/a -97.4 175.75 n/a no data #VALUE! n/a 174.00 n/a n/a
-97 176.15 n/a 176.70
-97.4 175.75 n/a 176.50
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
1.79E+00
n/a
3 values the same across
consistent range.
Average 1.79E+00 n/a 1.79E+00 n/a 1.83E+00 n/a Insert Values n/a 1.79E+00 n/a Insert Values n/a Insert Values n/a Insert Values n/a
1.79 1.79 n/a 1.79 1.79 n/a 1.79 1.79 n/a No data No data n/a 1.82 1.82 n/a no data no data n/a No data No data n/a no data no data n/a
n/a n/a 1.78 1.78 n/a n/a 1.75 1.75 n/a n/a n/a n/a
n/a n/a 1.79 1.79 n/a n/a 1.79 1.79 n/a n/a n/a n/a
n/a n/a 1.78 1.78 n/a n/a n/a n/a n/a n/a
n/a n/a 1.9 1.90 n/a n/a n/a n/a n/a n/a
n/a n/a 1.92 1.92 n/a n/a n/a n/a n/a n/a
n/a n/a 1.8 1.80 n/a n/a n/a n/a n/a n/a
n/a n/a 1.89 1.89 n/a n/a n/a n/a n/a n/a
1.79 1.79
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
9.360E+01
cm3 mol-1 cm3 mol-1 Ref. Temp (C)
n/a Single source
n/a
n/a
n/a n/a
n/a
n/a
Average 9.36E+01 n/a
93.6 93.60 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
Enthalpy of Vaporisation at
normal boiling point
(EVNBP)
J Mol-1
28872.37561
2.9610E+04
Normal
Chemical
Boiling Point
Median value of 3 from a
consistent range.
KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 Ref. Temp (C)
Average 2.89E+04 2.96E+04 3.07E+04
n/a
n/a
n/a 28.85 28850 30.62 30620 n/a n/a n/a
n/a
n/a
n/a
n/a
n/a
n/a 30.77 30770
Normal
Normal
Normal Boiling 28.6 28600 30.83 30830
Boiling
Boiling
Point
30.62 30620
Point
Point
n/a
n/a
n/a
Chemical Critical Point
temperature
(ambient pressure)
K
525.6552198
5.2300E+02
n/a
2 values the same from a
consistent range.
K Ref. Temp (C)
o C K Ref. Temp (C) K K Ref. Temp (C)
o C K Ref. Temp (C)
K
Average 5.23E+02 n/a #VALUE! n/a 5.23E+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
523 523.00 n/a No data #VALUE! n/a 523.4 523.40 n/a no data #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)
Critical Pressure
atm
49.28559298
50.03
not given
2 values across consistent
range. Value from most
recent source chosen.
Average 5.00E+01 not given 4.99E+01
50.7 50.03700962 50.61 49.9481865
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
not given
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 1.29E-01 10
Estimated from
parameters
above using
Clapyron
relationship or
direct calculation
Vapour pressure at
ambient soil
temperature
Pa 1.545E+04 10
Estimated
from
parameters
above using
Grain-
Watson
method
Diffusion
coefficient in
air
m 2 .s -1 8.73E-06 10
Estimated
from
parameters
above using
Wilkie-Lee
method
Diffusion
coefficient in
water
m 2 .s -1 6.74E-10 10
Estimated
from
parameters
above using
Hayduk and
Laudie
method
Organic
carbon-water
partition
coefficient
Log cm 3 .g -1 1.55 n/a
Estimated
from
parameters
above using
equation in
Table 2.12 of
SR7
(Page 1 of 1) (EIC proforma 1,1-dichloroethane.xls 28/08/2009)