Document ID: EPA-HQ-OPP-2004-0405-0052
Agency: epa
Document Type: Supporting & Related Material
Title: 
Posted Date: 2005-04-15T04:00Z

this
version
of
the
database
adds
information
for
4
volatile
anesthetics
studied
in
both
adults
and
infants;
adult
only
inform
Or,
more
generally,
tissue/
blood
=
(
a
+
b*
Kow)/(
1
+
c*
Kow)

0.51
a
where
a
represents
the
effective
water
fraction
of
the
tissue,
relative
to
blood
(
P
&
0.02
b
b
represents
the
effective
octanol
content
of
the
tissue
(
P
&
K
find
.014
for
kidney
0.0035
c
and
c
represents
the
effective
octanol
content
of
blood
(
P
&
K
recommend
a
value
former
values
without
last
four
anesthetic
chemicals
Overall
sum
of
squares
2.45
2.21
2.48
0.50
Common
"
c"
0.00179
0.001919686
0.0016543
Liver
a
0.87746
0.918663527
0.894057
Liver
b
0.01439
0.016611454
0.0134463
Kidney
a
0.81082
0.80679917
0.8153588
Kidney
b
0.00762
0.0080865
0.0071494
Fat
a
0.07218
0.080034526
0.0909918
Fat
b
0.39124
0.372917882
0.3493852
Muscle
a
0.71934
0.728955881
0.7238993
Muscle
b
0.00949
0.010669225
0.0088788
Chemical
Final
Log(
Kow)
for
Modeling
octanol/
water
observed
HLiver/
blood
mod
predicted
Hliver/
blood
liver
squared
differences
Methanol
­
0.80
0.16
Ethanol
­
0.32
0.48
2­
Propanol
­
0.06
0.88
1­
Propanol
0.30
1.97
Acetone
­
0.24
0.58
Isobutanol
0.71
5.07
2­
Butanone
(
methyl
ethyl
ketone)
0.26
1.82
N­
Pentane
3.62
4168.69
5.53
7.20
0.01
2,2­
Dimethylbutane
3.82
6606.93
13.46
7.49
0.06
2­
Methylpentane
4.28
19054.61
10.98
7.84
0.02
Dichloromethane
1.28
19.20
0.77
1.12
0.03
Methylcyclopentane
3.66
4570.88
9.07
7.27
0.01
3­
Methylhexane
4.77
58884.37
8.15
7.98
0.00
Chloroform
1.97
93.33
1.98
1.90
0.00
1,1,1­
Trichloroethane
2.49
311.41
5.66
3.44
0.05
1,1,1­
Trifluoro­
2­
Chloroethane
1.62
41.92
1.53
1.38
0.00
N­
Hexane
4.11
12882.50
6.50
7.75
0.01
N­
Heptane
4.66
45708.82
4.55
7.96
0.06
Cyclohexane
3.44
2754.23
8.31
6.84
0.01
Trichloroethylene
2.36
230.85
3.34
2.97
0.00
Benzene
2.13
133.86
2.83
2.26
0.01
Toluene
2.72
528.85
3.72
4.36
0.00
Isoflurane
2.07
118.40
2.93
2.13
0.02
2­
Butoxyacetic
acid
1.00
1.30
0.89
0.03
2­
Butoxyethanol
0.83
6.76
1.46
0.96
0.03
Acetone
­
0.24
0.58
0.58
0.88
0.03
Isoflurane
2.25
178.9673783
2.00
2.62
0.01
Enflurane
2.11
128.6145373
1.45
2.22
0.03
Halothane
2.33
214.06119
2.15
2.86
0.02
Methoxyflurane
2.25
176.1713859
1.53
2.60
0.05
0.88
caffeine
octanol/
water
partition
coefficient
reported
by
Guy
et
al.
(
1985)
citing
LeGuy,
R.
H.,
Ha
Leo,
A.,
Hansc
0.80
caffeine
octanol/
water
partition
coefficient
reported
by
Shiffman
et
al.
(
1994)
citing
Blakeslee
et
2.29E+
02
Carbaryl
octanol
water
from
ERDEM
model
documentation
2.96
Estimated
liver/
blood
for
carbaryl
1.81
Estimated
kidney/
blood
for
carbaryl
63.6
Estimated
fat/
blood
for
carbaryl
2.05
Estimated
muscle/
blood
for
carbaryl
2.39
Estimated
carbaryl
tissue/
blood
for
VRG
other
than
kidney
or
liver
(
average
of
kidney
and
liver)
ormation
analyzed
on
this
sheet
&
K
recommend
a
value
of
.51
for
all
tissues)
ney,
.028
for
liver,
and
.026
for
brain)
lue
of
.0035
for
humans,
but
the
rat
value
should
probably
be
higher)

0.51
0.88
observed
HKidney/
blo
od
mod
predicted
Hkidney/
bloo
d
kidney
squared
differences
observed
HFat/
blood
mod
predicted
Hfat/
blood
fat
squared
differences
0.79
0.81
0.00
0.14
0.13
0.00
0.71
0.81
0.00
0.16
0.26
0.04
0.70
0.82
0.00
0.25
0.42
0.05
0.72
0.82
0.00
0.31
0.84
0.19
0.75
0.81
0.00
0.44
0.30
0.03
0.69
0.84
0.01
0.72
2.04
0.21
0.86
0.82
0.00
1.30
0.78
0.05
1.58
3.86
0.15
104.21
192.94
0.07
5.38
3.99
0.02
253.85
201.74
0.01
4.88
4.17
0.00
212.20
212.58
0.00
0.62
0.93
0.03
9.12
7.33
0.01
5.47
3.89
0.02
204.65
194.97
0.00
5.62
4.23
0.02
213.08
216.75
0.00
1.28
1.30
0.00
32.65
31.35
0.00
2.30
2.05
0.00
86.11
78.31
0.00
1.40
1.05
0.02
22.67
15.32
0.03
3.75
4.12
0.00
130.00
209.71
0.04
3.75
4.22
0.00
162.11
216.17
0.02
5.54
3.68
0.03
200.00
181.89
0.00
1.67
1.82
0.00
64.62
63.98
0.00
1.51
1.48
0.00
53.16
42.32
0.01
1.37
2.49
0.07
74.29
106.38
0.02
1.50
1.41
0.00
49.29
38.29
0.01
1.07
0.82
0.01
0.77
0.46
0.05
1.83
0.85
0.11
2.03
2.68
0.01
0.74
0.81
0.00
0.44
0.30
0.03
53.10
53.10
0.00
40.97
40.97
0.00
60.62
60.62
0.00
52.47
52.47
0.00
Hadgraft,
J.,
and
Maibach,
H.
I.
(
1985)
Percutaneous
Absorption
in
Man:
A
Kinetic
Approach.
Toxicology
and
Appl.
nsch,
C.,
and
Elkins,
D.
(
1971)
Partition
Coefficients
and
their
Uses.
Chem.
Rev.
71:
525­
616.
et
al.
(
1935)

er)

Comparison
Be
Liver
Metabolis
(
Years)
vs
%
Bo
20
10
0
0
10
20
30
40
50
Rin
T1/
2
(
Years)
vs
%
Bo
TCDD
T1/
2
(
Years)
0.55
observed
HMuscle/
blo
od
mod
predicted
Hmuscle/
bloo
d
muscle
squared
differences
0.81
0.72
0.00
0.64
0.72
0.00
0.70
0.73
0.00
0.71
0.74
0.00
0.77
0.72
0.00
0.63
0.76
0.01
0.82
0.73
0.00
1.84
4.76
0.17
3.85
4.95
0.01
7.07
5.17
0.02
0.52
0.87
0.05
5.81
4.81
0.01
8.31
5.26
0.04
1.40
1.38
0.00
2.30
2.36
0.00
1.47
1.04
0.02
6.25
5.11
0.01
5.26
5.25
0.00
8.08
4.53
0.06
2.18
2.06
0.00
2.05
1.61
0.01
2.69
2.95
0.00
1.71
1.52
0.00
1.31
0.73
0.07
0.64
0.77
0.01
0.77
0.72
0.00
1.52
1.83
0.01
1.09
1.58
0.03
1.44
1.99
0.02
1.54
1.82
0.01
pl.
Pharmacol.
78:
123­
129
(
1985)

arison
Between
Rinsky
Lorber
vs
Metabolism
Models
of
TCDD
T1/
2
)
vs
%
Body
Fat
60
50
40
30
20
Rinsky
Lorber
T1/
2
T1/
2
(
yrs,
liver
met
basiss)
)
vs
%
Body
Fat
%
Fat
0.0
0.0
0.0
0.0
0.0
0.1
0.1
0.1
0.1
0.1
0.2
K
elim
(
per
year)
Comparison
of
Rinsky
Lorber
vs
Liver
Metabolism
Models
of
the
Relationship
Between
%
Body
Fat
and
TCDD
Elimination
Rate
60
50
40
30
20
10
0
0.00
0.02
0.04
0.06
0.08
0.10
0.12
0.14
0.16
0.18
0.20
Rinsky
Lorber
K
k
(
liver
met
basis)
and
TCDD
Elimination
Rate
%
Fat
DCTM_
ARP.
xls
Chemical
New
Data?
Water
solubili
ty
(
mol/
m
3)
Log
Kow
from
Patterson
and
Mackay
or
Leo
et
al.
Average
from
EPA
(
1986)
and
other
sources
consulted
by
Log
Kow
estimated
from
oil/
saline
data
of
Old
Final
Log
Kow
estimate
for
modeling
Log
Kow
from
Mass
DEP
Background
Document,
Henry's
Law
Consant
from
Mass
DEP
atm­
m3/
mol
Poulin/
Krish
nan
96
Ka
Log(
PK96
Ka)
Final
Log(
Kow)
for
Modeling
Final
Log(
Oil/
Salin
e)
for
Modeling
Ethyl
Acrylate
0
1.33
1.33
1.33
1.23
1,4­
Dioxane
0
­
0.42
­
0.23
­
0.23
­
0.32
0.14
Methanol
0
26581
­
0.82
­
0.77
­
0.80
­
0.80
­
1.61
Ethanol
0
7913
­
0.32
­
0.32
­
0.32
­
0.32
­
1.29
2­
Propanol
0
4200
­
0.16
0.05
­
0.06
­
0.06
­
0.99
1­
Propanol
0
5352
0.34
0.25
0.30
0.30
­
0.79
Acetone
0
6540
­
0.24
­
0.24
­
0.24
4.26E­
05
­
0.24
4.26E­
05
­
0.24
­
0.33
Isobutanol
0
1282
0.65
0.76
0.71
0.71
­
0.38
2­
Butanone
(
methyl
ethyl
ketone)
0
2300
0.26
0.26
0.26
0.26
0.08
N­
Pentane
0
0.565
3.62
3.62
3.62
3.57
2,2­
Dimethylbutane
0
0.246
3.82
3.82
3.82
3.74
2­
Methylpentane
0
0.166
4.28
4.28
4.28
4.14
Dichloromethane
0
256.5
1.25
1.30
1.30
1.28
3.19E­
03
1.30
3.19E­
03
1481.00
3.17
1.28
1.38
Methylcyclopentane
0
0.499
3.66
3.66
3.66
3.60
3­
Methylhexane
0
0.034
4.77
4.77
4.77
4.57
Chloroform
0
63.87
1.97
1.97
2.00
1.97
3.39E­
03
1.97
3.39E­
03
2383.00
3.38
1.97
2.07
Methyl
Chloride
0
0.95
0.91
0.95
1263.00
3.10
0.95
0.99
Carbon
Tetrachloride
0
2.64
2.64
2.95
2.64
2.93E­
02
2.64
2.93E­
02
1372.00
3.14
2.64
3.03
Difluoromethane
0
0.48
0.48
0.39
0.56
Fluorochloromethane
0
0.78
0.78
0.70
0.86
Bromochloromethane
0
1.41
1.54
1.41
2268.00
3.36
1.41
1.62
Dibromomethane
0
1.74
1.74
1.69
1.82
Chlorodibromomethane
0
2.09
2.48
2.09
7.83E­
04
2.24
7.83E­
04
2.17
2.56
Chloroethane
0
1.54
1.43
1.47
1.49
1.49
1.55
1,1­
Dichloroethane
0
1.79
1.80
1.79
5.54E­
03
1.79
5.54E­
03
1896.00
3.28
1.79
1.88
1,2­
Dichloroethane
0
1.48
1.43
1.48
1.10E­
03
1.48
1.10E­
03
1065.00
3.03
1.48
1.51
1,1,1­
Trichloroethane
0
9.7
2.49
2.50
2.52
2.50
2.31E­
02
2.49
2.31E­
02
1678.00
3.22
2.49
2.64
1,1,2­
Trichloroethane
0
2.47
2.05
2.47
9.10E­
04
2.42
9.10E­
04
1476.00
3.17
2.45
2.12
1,1,1,2­
Tetrachloroethane
0
3.03
2.80
3.03
1.10E­
02
1.10E­
02
1685.00
3.23
3.03
2.88
1,1,2,2­
Tetrachloroethane
0
2.39
2.36
2.39
3.80E­
04
2.39
3.80E­
04
1586.00
3.20
2.39
2.43
Pentachloroethane
0
2.89
3.38
2.89
2228.00
3.35
2.89
3.46
Hexachloroethane
0
4.49
3.80
4.49
9.85E­
03
3.93
9.85E­
03
4.21
3.88
1,2­
Dibromoethane
0
1.76
1.79
1.76
6.73E­
04
1.96
6.73E­
04
1.86
1.87
1­
Bromo­
2­
chloroethane
0
1.73
1.73
1.67
1.81
1,1,1­
Trifluoro­
2­
Chloroethane
0
1.68
1.68
1.62
1.76
1,1,1­
Trifluoro­
2­
bromo­
2­
chloroethane
0
2.52
2.52
2.49
2.60
1­
Chloropropane
0
1.93
1.93
1.88
2.00
2­
Chloropropane
0
1.85
1.85
1.80
1.93
1,2­
Dichloropropane
0
2.00
2.11
2.11
2.82E­
03
1.99
2.82E­
03
2426.00
3.38
2.00
2.19
n­
Propyl
bromide
(
1­
bromopropane
listed
by
0
2.1
2.20
2.20
2.10
2.28
Isopropyl
bromide
0
2.10
2.10
2.06
2.18
1­
Nitropropane
0
0.65
0.84
0.84
0.65
0.92
2­
Nitropropane
0
0.74
0.74
0.65
0.81
N­
Hexane
0
0.143
4.11
3.68
3.68
2212.00
3.34
4.11
3.76
N­
Heptane
0
0.027
4.66
3.30
3.30
1536.00
3.19
4.66
3.38
Cyclohexane
0
0.706
3.44
3.44
3.44
3.41
JP­
10
(
tricyclo[
5.2.1.0(
2,6)]­
0
4.71
4.71
4.74
4.79
Vinyl
chloride
0
1.38
1.68
1.38
0.0278
1.36
2.78E­
02
1.37
1.75
1,1­
Dichloroethylene
(
vinylidine
chloride)
0
1.66
2.19
1.66
1.49E­
02
2.13
1.49E­
02
1.90
2.26
cis­
1,2­
Dichloroethylene
0
1.86
1.85
1.86
4.08E­
03
1.86
4.08E­
03
2902.00
3.46
1.86
1.93
trans­
1,2­
Dichloroethylene
0
1.77
2.02
1.77
5.23E­
03
2.09
5.23E­
03
2626.00
3.42
1.93
2.10
Trichloroethylene
0
10.2
2.29
2.38
2.84
2.34
9.12E­
03
2.42
9.12E­
03
4725.00
3.67
2.36
2.92
Tetrachloroethylene
0
2.60
3.35
2.60
2.04E­
03
3.40
2.04E­
03
1098.00
3.04
3.00
3.43
Vinyl
bromide
0
2.03
2.03
1.98
2.10
Benzene
0
23.2
2.13
2.12
2.15
2.13
5.50E­
03
2.13
5.50E­
03
2211.00
3.34
2.13
2.23
Chlorobenzene
0
2.84
2.84
2.81
2.84
3.93E­
03
2.84
3.93E­
03
3279.00
3.52
2.84
2.89
Toluene
0
5.94
2.65
2.73
2.77
2.69
6.68E­
03
2.79
6.68E­
03
1733.00
3.24
2.72
2.85
Styrene
0
3.5
2.95
2.95
3.32
2.95
2.61E­
03
2.95
2.61E­
03
1497.00
3.18
2.95
3.40
m­
Methylstyrene
0
3.79
3.79
3.80
3.87
p­
Methylstyrene
0
3.74
3.74
3.74
3.82
o­
Xylene
0
2.77
2.95
3.05
2.86
5.27E­
03
5.27E­
03
1512.00
3.18
2.86
3.13
m­
Xylene
0
3.2
3.26
3.15
3.23
1853.00
3.27
3.23
3.23
p­
Xylene
0
3.15
3.15
3.19
3.15
1609.00
3.21
3.15
3.27
Diethyl
ether
0
610
0.77
0.61
0.77
0.77
0.69
Isoflurane
0
2.12
2.12
2.07
2.20
Allyl
chloride
0
0.96
1.65
0.96
0.96
1.72
Isoprene
(
2­
methyl
1,3­
butadiene)
0
1.54
1.54
1.48
1.62
Page
16
DCTM_
ARP.
xls
Chemical
Ethyl
Acrylate
1,4­
Dioxane
Methanol
Ethanol
2­
Propanol
1­
Propanol
Acetone
Isobutanol
2­
Butanone
(
methyl
ethyl
ketone)
N­
Pentane
2,2­
Dimethylbutane
2­
Methylpentane
Dichloromethane
Methylcyclopentane
3­
Methylhexane
Chloroform
Methyl
Chloride
Carbon
Tetrachloride
Difluoromethane
Fluorochloromethane
Bromochloromethane
Dibromomethane
Chlorodibromomethane
Chloroethane
1,1­
Dichloroethane
1,2­
Dichloroethane
1,1,1­
Trichloroethane
1,1,2­
Trichloroethane
1,1,1,2­
Tetrachloroethane
1,1,2,2­
Tetrachloroethane
Pentachloroethane
Hexachloroethane
1,2­
Dibromoethane
1­
Bromo­
2­
chloroethane
1,1,1­
Trifluoro­
2­
Chloroethane
1,1,1­
Trifluoro­
2­
bromo­
2­
chloroethane
1­
Chloropropane
2­
Chloropropane
1,2­
Dichloropropane
n­
Propyl
bromide
(
1­
bromopropane
listed
by
Isopropyl
bromide
1­
Nitropropane
2­
Nitropropane
N­
Hexane
N­
Heptane
Cyclohexane
JP­
10
(
tricyclo[
5.2.1.0(
2,6)]­
Vinyl
chloride
1,1­
Dichloroethylene
(
vinylidine
chloride)

cis­
1,2­
Dichloroethylene
trans­
1,2­
Dichloroethylene
Trichloroethylene
Tetrachloroethylene
Vinyl
bromide
Benzene
Chlorobenzene
Toluene
Styrene
m­
Methylstyrene
p­
Methylstyrene
o­
Xylene
m­
Xylene
p­
Xylene
Diethyl
ether
Isoflurane
Allyl
chloride
Isoprene
(
2­
methyl
1,3­
butadiene)
Air
Solubility
(
mol/
m3)
Octanol
Solubility
(
mol/
m3)
Calculated
water/
air
Calculated
octanol/
air
Oil/
Air
HBlood/
air
HLiver/
Air
HKidney/
Air
HBrain/
air
Fat/
air
HMuscle/
air
HLung/
air
octanol/
water
1.33
21.3796209
­
0.42
11.93
4023
2228.080469
337.2170997
82.5
2874
1355
1413
231
1309
1733
0.151356125
5.94
3787
1332.154882
637.5420875
2516
940
1044
215
850
1172
0.478630092
4.53
2906
927.1523179
641.5011038
1426
503
560
180
502
590
0.691830971
2.27
11709
2357.709251
5158.14978
955
686
720
296
678
817
2.187761624
19.54
3763
334.6980553
192.5793245
86
330
146
148
86
151
160
0.575439937
1.4
5726
915.7142857
4090
896
371
387
388
343
400
4.466835922
9.05
4185
254.1436464
462.4309392
215
107
111
162
103
103
1.819700859
40.74
2355
0.013868434
57.80559647
47
0.38
2.1
0.6
2.2
39.6
0.7
0.5
4168.693835
25.6
1625
0.009609375
63.4765625
71
0.26
3.5
1.4
2.8
66
1
0.6
6606.93448
17.6
3163
0.009431818
179.7159091
103
0.41
4.5
2
3.8
87
2.9
0.8
19054.60718
35.61
4561
7.203032856
128.0819994
152
9.7
7.2
5.8
6
85
4.8
5.8
17.7827941
11.7
2281
0.042649573
194.957265
202
0.86
7.8
4.7
7.3
176
5
1.7
4570.881896
5.51
2016
0.006170599
365.8802178
311
1.3
10.6
7.3
10.2
277
10.8
16.37
5961
3.901649359
364.1417227
401
10.3
17
11
20
280
12
7
93.32543008
436.5158322
34.67368505
10.44
2998
0.929118774
287.164751
356
38.6­­
error?
17
6.7
8.3
251
6.7
4.7
309.0295433
#
DIV/
0!
#
DIV/
0!

125.8925412
4.466835922
12.9
1842
0.011085271
142.7906977
146
0.8
5.2
3
5
104
5
1
12882.49552
4.19
1213
0.006443914
289.4988067
452
1.9
10.8
8.9
12.4
385
12.5
2.5
45708.81896
8.46
1944
0.083451537
229.787234
293
1.3
10.8
7.2
10.7
260
10.5
2.7
2754.228703
24.4
64.3
6.56
1989
1.554878049
303.2012195
718
9.5
29
15
21
569
19
14
194.98446
2134
8.34
31.3
2.78177458
3.752997602
492
7.8
23
12
18
425
16
12
134.8962883
2.66
2653
2.233082707
997.3684211
1471
15.6
48
18
36
962
35
21
446.6835922
0.75
3128
4.666666667
4170.666667
52
140
2600
52
3534
42.68
3592
14.29240862
84.16119963
65
12
11
10
12
50
10
15
5.888436554
#
DIV/
0!
#
DIV/
0!

Page
17
DCTM_
ARP.
xls
Chemical
Ethyl
Acrylate
1,4­
Dioxane
Methanol
Ethanol
2­
Propanol
1­
Propanol
Acetone
Isobutanol
2­
Butanone
(
methyl
ethyl
ketone)
N­
Pentane
2,2­
Dimethylbutane
2­
Methylpentane
Dichloromethane
Methylcyclopentane
3­
Methylhexane
Chloroform
Methyl
Chloride
Carbon
Tetrachloride
Difluoromethane
Fluorochloromethane
Bromochloromethane
Dibromomethane
Chlorodibromomethane
Chloroethane
1,1­
Dichloroethane
1,2­
Dichloroethane
1,1,1­
Trichloroethane
1,1,2­
Trichloroethane
1,1,1,2­
Tetrachloroethane
1,1,2,2­
Tetrachloroethane
Pentachloroethane
Hexachloroethane
1,2­
Dibromoethane
1­
Bromo­
2­
chloroethane
1,1,1­
Trifluoro­
2­
Chloroethane
1,1,1­
Trifluoro­
2­
bromo­
2­
chloroethane
1­
Chloropropane
2­
Chloropropane
1,2­
Dichloropropane
n­
Propyl
bromide
(
1­
bromopropane
listed
by
Isopropyl
bromide
1­
Nitropropane
2­
Nitropropane
N­
Hexane
N­
Heptane
Cyclohexane
JP­
10
(
tricyclo[
5.2.1.0(
2,6)]­
Vinyl
chloride
1,1­
Dichloroethylene
(
vinylidine
chloride)

cis­
1,2­
Dichloroethylene
trans­
1,2­
Dichloroethylene
Trichloroethylene
Tetrachloroethylene
Vinyl
bromide
Benzene
Chlorobenzene
Toluene
Styrene
m­
Methylstyrene
p­
Methylstyrene
o­
Xylene
m­
Xylene
p­
Xylene
Diethyl
ether
Isoflurane
Allyl
chloride
Isoprene
(
2­
methyl
1,3­
butadiene)
water/
air
.9%
saline/
air
olive
oil/
air
Oil/
saline
Log(
oil/
saline)
Oil/
water
Log(
Oil/
water
)
Hfat/
air
Hblood/
air
Hmuscle/
air
Hliver/
air
Hkidney/
air
Fat/
blood
calculated
from
Patterson.
Ma
ckay
2066
1825
2874
3190
0.080375783
2516
0.0854531
1426
0.126227209
955
0.309947644
330
0.260606061
896
0.433035714
215
0.753488372
0.25
47
188
2.274157849
39.6
0.38
0.7
2.1
0.6
104.2105263
0.25
71
284
2.45331834
66
0.26
1
3.5
1.4
253.8461538
0.25
103
412
2.614897216
87
0.41
2.9
4.5
2
212.195122
7.2
5.96
141.5
23.74161074
1.37551018
19.65277778
1.293423943
85
9.32
4.8
7.2
5.8
8.762886598
0.25
202
808
2.907411361
176
0.86
5
7.8
4.7
204.6511628
0.25
311
1244
3.09482038
277
1.3
10.8
10.6
7.3
213.0769231
6.75
3.38
401
118.6390533
2.074227672
59.40740741
1.7738406
280
8.575
12
17
11
27.18446602
0.88
8.57
9.738636364
0.98849815
2.48
0.35
374
1068.571429
3.028803558
2.73
1.31
4.76
3.633587786
0.560335657
3.08
22.3
7.24025974
0.859754147
8.65
361
41.73410405
1.620491094
14.4
957
66.45833333
1.822549446
7.34
2683
365.5313351
2.562924613
52.7
1.09
38.9
35.68807339
1.552523103
2.69
2.45
186
75.91836735
1.88034686
4.94
11.4
366
32.10526316
1.506576234
19.5
0.93
0.75
325.5
434
2.63748973
251
2.915
6.7
16.5
6.7
13.33
1776
133.2333083
2.124612812
35.7
3.53
2686
760.9065156
2.881331303
30.2
23.4
6358
271.7094017
2.434104666
116
2.32
6689
2883.189655
3.459873211
0.66
5015
7598.484848
3.880727002
52.4
17.3
1276
73.75722543
1.867804571
8.91
569
63.86083053
1.805234562
29.2
0.54
0.42
24
57.14285714
1.756961951
44.44444444
1.647817482
34
1.5
2.2
2.3
2.1
0.5
198
396
2.597695186
1.04
105
100.9615385
2.00415596
2.85
0.82
69.9
85.24390244
1.930663323
1.39
2.75
428
155.6363636
2.192111075
8.75
1.44
272
188.8888889
2.276206412
7.08
1.08
164
151.8518519
2.181420093
2.57
127
1062
8.362204724
0.922320796
187
98.3
640
6.510681587
0.813626456
154
0.25
0.026
150.5
5788.461538
3.762563152
602
2.779596491
104
0.8
5
5.2
3
130
0.25
0.18
428.5
2380.555556
3.376678321
1714
3.234010818
385
2.375
12.5
10.8
8.9
202.6315789
0.25
<.
01
293
#
REF!
#
REF!
260
1.3
10.5
10.8
7.2
200
0.21
12970
61761.90476
4.790720681
52.5
0.43
24.4
56.74418605
1.753921371
1.16
0.35
64.3
183.7142857
2.264142929
3.25
278
85.53846154
1.932161435
9.85
1.41
178
126.2411348
2.10120089
6.04
1.5
0.83
686
826.5060241
2.917246023
457.3333333
2.660232857
569
8.805
19.2
29.4
14.7
59.89473684
0.79
2134
2701.265823
3.431567324
10.3
0.44
56
127.2727273
2.104735351
2.27
2.8
2.75
470.5
171.0909091
2.233226934
168.0357143
2.225401596
425
7.995
16.4
22.6
12.1
54.48717949
2.81
2188
778.6476868
2.891340998
30
2.2
1.75
1240.75
709
2.850646235
563.9772727
2.751261603
962
12.95
34.9
48.2
17.8
61.66666667
1.41
3548
2516.312057
3.400764499
52
50
1.97
14706
7464.974619
3.873028335
2.11
13942
6607.582938
3.820042623
2.65
3534
1333.584906
3.125020671
34.9
1.92
3245
1690.104167
3.227913472
32.5
1.77
3319
1875.141243
3.273033986
44.7
11.4
55.6
4.877192982
0.68816994
12
4.166666667
0.62
0.56
87.95
157.0535714
2.196047817
141.8548387
2.151844154
69
1.4
2.4
4.1
2.1
2.06
109
52.91262136
1.723559278
0.21
8.81
41.95238095
1.622756614
Page
18
DCTM_
ARP.
xls
Chemical
Ethyl
Acrylate
1,4­
Dioxane
Methanol
Ethanol
2­
Propanol
1­
Propanol
Acetone
Isobutanol
2­
Butanone
(
methyl
ethyl
ketone)
N­
Pentane
2,2­
Dimethylbutane
2­
Methylpentane
Dichloromethane
Methylcyclopentane
3­
Methylhexane
Chloroform
Methyl
Chloride
Carbon
Tetrachloride
Difluoromethane
Fluorochloromethane
Bromochloromethane
Dibromomethane
Chlorodibromomethane
Chloroethane
1,1­
Dichloroethane
1,2­
Dichloroethane
1,1,1­
Trichloroethane
1,1,2­
Trichloroethane
1,1,1,2­
Tetrachloroethane
1,1,2,2­
Tetrachloroethane
Pentachloroethane
Hexachloroethane
1,2­
Dibromoethane
1­
Bromo­
2­
chloroethane
1,1,1­
Trifluoro­
2­
Chloroethane
1,1,1­
Trifluoro­
2­
bromo­
2­
chloroethane
1­
Chloropropane
2­
Chloropropane
1,2­
Dichloropropane
n­
Propyl
bromide
(
1­
bromopropane
listed
by
Isopropyl
bromide
1­
Nitropropane
2­
Nitropropane
N­
Hexane
N­
Heptane
Cyclohexane
JP­
10
(
tricyclo[
5.2.1.0(
2,6)]­
Vinyl
chloride
1,1­
Dichloroethylene
(
vinylidine
chloride)

cis­
1,2­
Dichloroethylene
trans­
1,2­
Dichloroethylene
Trichloroethylene
Tetrachloroethylene
Vinyl
bromide
Benzene
Chlorobenzene
Toluene
Styrene
m­
Methylstyrene
p­
Methylstyrene
o­
Xylene
m­
Xylene
p­
Xylene
Diethyl
ether
Isoflurane
Allyl
chloride
Isoprene
(
2­
methyl
1,3­
butadiene)
Fiserova
reported
Hfat/
blood
Muscle/
blood
calculated
from
Patterson.
Ma
ckay
Fiserova
reported
Hmuscle/
blo
od
Kidney/
blood
calculated
from
Patterson.
Ma
ckay
Fiserova
reported
Hkidney/
bloo
d
Lung/
blood
calculated
from
Patterson.
Ma
ckay
Fiserova
reported
Hlung/
blood
refs
Clay
Frederick
Reitz,
R.
R.
et
0.142
0.45546277
0.805
0.471468337
0.833
0.602992345
1.066
eto
report
0.161
0.337837838
0.638
0.373608903
0.706
0.46581876
0.88
eto
report
0.25
0.352033661
0.698
0.352734923
0.7
0.413744741
0.82
eto
report
0.31
0.709947644
0.71
0.718324607
0.718
0.855497382
0.855
eto
report
0.439
0.457575758
0.77
0.442424242
0.745
0.484848485
0.816
eto
report
0.717
0.3828125
0.634
0.4140625
0.686
0.446428571
0.739
eto
report
1.3
0.479069767
0.824
0.497674419
0.856
0.479069767
0.824
eto
report
1.842105263
1.578947368
3.846153846
5.384615385
7.073170732
4.87804878
0.494845361
0.597938144
Gargas
for
rat
5.813953488
5.465116279
8.307692308
5.615384615
1.165048544
1.067961165
Gargas
for
rat
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
6.25
3.75
Gargas
et
al.,
1
6.578947368
4.684210526
Gargas
et
al.,
1
8.076923077
5.538461538
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
2
1.578947368
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
2.051282051
1.538461538
Gargas
et
al.,
1
Gargas
et
al.,
1
2.243589744
1.153846154
Gargas
et
al.,
1
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
0.833333333
0.833333333
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Gargas
et
al.,
1
Page
19