appendix c: physicochemical properties of organic compoundsmrh/ese 176 sgi book/sgi appen c...
TRANSCRIPT
1197
Appendix C
PHYSICOCHEMICAL PROPERTIES OF ORGANIC COMPOUNDS
Appendix C contains the names, molecular formula, molar mass (MJ, density (pi), melting point (Tm), boiling point (Tb), vapor pressure ( P:), aqueous solubility ( Czt ), air-water partition constant (Kjaw), octanol-water partition constant (Kio,,,), and acidity constant (Kia, where appropriate) of some environmentally relevant organic chemicals. Except for density (20°C), all data are given for 25°C. The data have been collected from various data compilations (and references cited therin) including Abraham et al. (1 994a and b), Hansch et al. (1 995), Lide (1 998), Mackay et al. (1992-97), Mitchell and Jurs (1998), Montgomery (1997), and Ruelle and Kesselring (1 997a and b).
Environmental Organic Chemistry, 2nd Edition. Rene P. Schwarzenbach, Philip M. Gschwend and Dieter M. Imboden
Copyright 0 2003 John Wiley &L Sons, Inc.
Com
poun
d N
ame
Mol
ecul
ar
For
mul
a r
\o
00
log
p,*lP
a -lo
g qG
t -lo
gH;,,
myo
w PK
;, w
ca
lcul
ated
(e
xper
imen
tal)
Met
hane
E
than
e P
ropa
ne
n-B
utan
e n-
Pen
tane
n-
Hex
ane
n-H
epta
ne
n-O
ctan
e n-
Non
ane
n-D
ecan
e n-
Und
ecan
e n-
Dod
ecan
e n- H
exad
ecan
e n-
Oct
adec
ane
2-M
ethy
lpro
pane
(is
obut
ane)
C
A0
2-M
ethy
lbut
ane
(isop
enta
ne)
C5H
12
2,2-
Dim
ethy
lpro
pane
(neo
pent
ane)
C
5H12
2,2-
Dim
ethy
lbut
ane
(neo
hexa
ne)
C6H
14
2,2,
4-T
rimet
hylp
enta
ne (i
sooc
tane
) C
8H,8
2-M
ethy
lpen
tane
(iso
hexa
ne)
C6
H1
4
1.3-
But
adie
ne
2-M
ethy
l-I ,3
-but
adie
ne (i
sopr
ene)
1 ,
4-P
enta
dien
e C
yclo
pent
ene
Cyc
lope
ntan
e 1 ,
4-C
yclo
hexa
dien
e C
yclo
hexe
ne
Cyc
lohe
xane
1 -
Hex
ene
Met
hylc
yclo
hexa
ne
C4
H6
C5H
8
C5H
8 C
5H
8
C5
H1
0
C6
H1
0
C6
H1
2
C6
H1
2
C7
H1
4
16.0
30
.1
44.1
58
.1
72.2
86
.2
100.
2 11
4.2
128.
3 14
2.3
156.
3 17
0.3
226.
4 25
4.4
n-A
lkan
es
-1 8
2.5
-1 8
3.3
-1 8
9.7
0.58
(L)
-138
.4
0.63
-1
29.
7 0.
66
-95.
0 0.
68
-90.
6 0.
70
-56.
8 0.
72
-51 .O
0.73
-2
9.7
0.74
-2
5.6
0.75
-9
.6
0.77
18
.2
0.78
28
.2
-1 6
4.0
-88.
6 -4
2.1
-0.5
36
.1
69.0
98
.4
125.
7 15
0.8
174.
1 19
5.9
21 6.
3 28
7.0
31 6.
1
Bra
nche
d A
/kan
es
58.1
0.
56 (
L)
-159
.4
-11.
7 72
.2
0.62
-1
59.9
27
.9
72.2
0.
59 (
L)
-16.
6 9.
5 86
.2
0.64
-1
53.8
60
.1
86.2
0.
65
-99.
8 49
.7
11 4.
2 0.
69
-107
.4
99.2
54.1
68
.1
68.1
68
.1
70.1
80
.1
82.1
84
.2
84.2
98
.2 U
nsa
tura
ted a
nd A
hicy
chic
ffydro
carb
ons
0.62
(L)
0.
68
0.66
0.
77
0.74
0.
85
0.81
0.
78
0.67
0.
77
-1 0
8.9
-1 4
6.0
-1 4
8.3
-1 3
5.1
-92.
9 -4
9.2
-1 0
3.5
6.5
-1 3
9.8
-1 2
6.6
-4.4
34
.0
26.0
44
.2
49.2
81
.5
83.0
80
.7
63.4
10
0.6
7.45
6.
61
5.98
5.
40
4.83
4.
30
3.79
3.
26
2.76
2.
24
1.72
1.
19
-0.7
3 -1
.78
5.56
4.
96
5.24
4.
45
4.63
3.
81
5.45
4.
86
5.00
4.
70
4.63
3.
95
4.07
4.
10
4.40
3.
79
2.82
(1 b
ar)
2.69
(1 ba
r)
2.85
(1 b
ar)
2.98
(1 b
ar)
3.25
3.
83
4.53
5.
20
5.77
6.
42
-1.4
3 -1
.30
-1.4
6 -1
.58
-1.6
9 -1
-74
-1
.93
-2.0
7 -2
.14
-2.2
7
7.52
-2
.32
7.80
-0
.68
8.08
-0
.09
1.09
1.
81
2.36
2.
89
3.39
4.
00
4.66
5.
15
5.65
6.
25
3.07
(1 b
ar)
-1.6
8 2.
82
3.18
-1
.75
3.34
(1 b
ar)
-1.9
5 3.
11
3.80
-1
.86
3.60
3.
65
-1.8
9 3.
42
4.67
-2
.09
1.86
2.
04
2.08
2.
09
2.64
2.
03
2.60
3.
17
3.22
3.
81
-0.4
7 -0
.51
-0.6
9 -0
.40
-0.8
8 0.
41
-0.2
8 -0
.89
-1.2
2 -1
.21
1.99
2.
05
3.00
2.
30
2.86
3.
44
3.40
3.
88
A/k
y/a
fed
Ben
zene
s
0.88
5.
5
0.87
-9
5.0
0.86
-9
5.0
0.91
-3
1 .O
0.88
-2
5.2
0.86
-4
7.8
0.86
13
.3
0.86
-9
9.6
0.86
-9
6.6
0.89
-2
5.4
0.88
-4
3.8
0.
88
-44.
7 0.
88
-83.
8 0.
86
-62.
4 0.
86
-88.
0 0.
86
-75.
0 0.
87
-58.
0 0.
91
-6.3
0.
84
79.5
0.
86
-78.
3 0.
86
-61 .O
166.
7
Ben
zene
Met
hylb
enze
ne (t
olue
ne)
Eth
ylbe
nzen
e
Vin
ylbe
nzen
e (s
tyre
ne)
1 ,P
Dim
ethy
lben
zene
(0-x
ylen
e)
1,3-
Dim
ethy
lben
zene
(m-x
ylen
e)
1,4-
Dim
ethy
lben
zene
(p-x
ylen
e)
n-P
ropy
lben
zene
ls
opro
pylb
enze
ne
1,2,
3-T
rimet
hyIb
enze
ne
1,2,
4-T
rimet
hylb
enze
ne
1,3,
5-T
rimet
hylb
enze
ne
1 -E
thyl
-2-m
ethy
lben
zene
1 -
Eth
yl-4
-met
hylb
enze
ne
n-B
utyl
benz
ene
s-B
utyl
benz
ene
f-B
utyl
benz
ene
1,2,
3,4-
Tet
ram
ethy
lben
zene
1,
2,4,
5-T
etra
met
hylb
enze
ne
n-P
enty
lben
zene
n-
Hex
ylbe
nzen
e H
exam
ethy
lben
zene
lnda
ne
Nap
htha
lene
1 -M
ethy
lnap
htha
lene
2-
Met
hyln
apht
hale
ne
Ace
naph
then
e
Ace
naph
thyl
ene
Flu
oren
e
C6H
6
C,H
8
C8
HlO
C8
HlO
C8
HlO
C8
HlO
‘gH
l2
‘gH
12
‘SH
12
‘gH
l2
‘gH
12
‘gH
12
‘gH
l2
‘10H
14
ClO
H14
C10
H14
C10
H14
C10
H14
C11
H16
C1
2H
18
C1
2H
18
C9
H1
0
Cl O
H8
Cll
HlO
Cll
HlO
Cl 2
H10
C1
2H
8
C1
3H
lO
78.1
92.2
106.
2
104.
2
106.
2
106.
2
106.
2
120.
2 12
0.2
120.
2 12
0.2
120.
2 12
0.2
120.
2 13
4.2
134.
2 13
4.2
134.
2 13
4.2
148.
3 16
2.3
162.
3
80.1
11 0.
6
136.
2
145.
1
144.
4
139.
1
138.
1
159.
2 15
4.2
176.
1 16
9.4
164.
7 16
5.2
162.
0 18
3.0
174.
0 16
9.0
205.
0 19
5.9
202.
2 22
6.0
265.
0
4.10
3.57
3.09
2.94
2.95
3.04
3.07
2.65
2.
79
2.30
2.
42
2.52
2.
52
2.60
2.
15
2.40
2.
46
1.65
1 .
I1
1.65
1.
13
-0.8
0
Po&
cyc/
ic A
rom
atic
Hyd
roca
rbon
s and R
e/af
ed C
ompo
unds
118.
2 0.
96
-51.
4 17
8.0
2.30
12
8.2
1.16
80
.2
218.
0 1.
05
142.
2 1.
02
-22.
0 24
4.0
0.92
14
2.2
1.01
35
.0
241.
0 0.
95
154.
2 1.
05
96.2
27
8.0
-0.5
1
152.
2 0.
90
92.5
27
0.0
-0.0
5 16
6.2
1.20
11
6.0
295.
0 -1
.02
1.65
2.22
2.80
2.53
2.75
2.82
2.77
3.34
3.
33
3.23
3.
33
3.38
3.
20
3.10
3.
95
3.73
3.
60
4.58
4.
59
5.20
5.
84
3.03
3.
60
3.71
3.
75
4.61
4.59
4.
94
0.65
0.60
0.50
0.93
0.69
0.53
0.55
0.40
0.
27
0.86
0.
65
0.50
0.
67
0.69
0.
29
0.26
0.
33
0.70
0.
15
0.06
1.
35
(0.6
5 ex
p.)
(0.6
2 ex
p.)
(0.4
7 ex
p.)
(0.9
2 ex
p.)
(0.6
8 ex
p.)
(0.5
2 ex
p.)
(0.5
4 ex
p.)
1.06
1.
74
1.76
1.
69
2.29
1.85
2.
47
(1.7
2 ex
p.)
(2.2
8 ex
p.)
(2.3
9 ex
p.)
2.17
2.69
3.20
2.95
3.16
3.30
3.27
3.69
3.
66
3.60
3.
65
3.42
3.
53
3.63
4.
38
4.44
4.
11
4.00
4.
10
4.90
5.
52
4.75
3.33
3.
33
3.87
3.
99
4.20
4.00
4.
32
w
w
W
W
Com
poun
d N
ame
r
0
0
Mol
ecul
ar
fY
P,
Trn
r, -1
ogy,,
lo
gK;o
w
PK;,
N
For
mul
a (g
.mol
-I)
(ge
m")
("
C)
("C
) lo
g p,
*lPa
-log
qCt
calc
ulat
ed
(exp
erim
enta
l)
Phe
nant
hren
e
Ant
h ra
cene
Flu
oran
then
e
Pyr
ene
Ben
zo(a
)ant
hrac
ene
Chr
ysen
e B
enzo
(a)p
yren
e
Per
ylen
e
C hl
orom
etha
ne
Dic
hlor
omet
hane
Tric
hlor
omet
hane
Tet
rach
loro
met
hane
1 ,I -
Dic
hlor
oeth
ane
1,2-
Dic
hlor
oeth
ane
1 ,I
,1-T
richl
oroe
than
e
l11,
2-T
richl
oroe
than
e
1,1,
2,2-
Tet
rach
loro
etha
ne
Pen
tach
loro
etha
ne
Hex
achl
oroe
than
e C
hlor
oeth
ene
1 ,I -
Dic
hlor
oeth
ene
c14H
10
C14
H10
C16H
10
C16
H10
C18
HlZ
C,
8H,Z
CZO
HIZ
C,OH,Z
CH
3CI
CH,C
I,
CH
CI,
CC
I,
CZH
4C'Z
CZH
4C1Z
CZ
H3C
13
CZ
H3C
13
CZH
ZC14
C,HC
I,
CzH
3CI
cZc1
6
CZH
ZCIZ
CZH
ZCIZ
CZH
ZC',
178.
2
178.
2
202.
3
202.
3
228.
3 22
8.3
252.
3
252.
3
50.5
84
.9
119.
4
153.
8
99.0
99.0
133.
4
133.
4
167.
9
202.
3 23
6.7
62.5
96.9
96.9
96.9
0.98
101.0
33
9.0
1.25
21
7.5
341.
0
1.25
11
0.5
384.
0
1.27
15
6.0
403.
0
1.25
16
0.6
437.
5 1.
28
255.
0 44
8.0
176.
5 49
6.0
277.
0 50
3.0
CM
oriate
d C
,- to
C4-
Com
poun
a's
0.92
(L)
1.33
1.48
1.59
1.18
1.25
1.34
1.44
1.60
1.68
2.
09
0.91
(L)
1.22
1.27
1.27
-97.
7 -9
5.1
-63.
3
-23.
0
-97.
3
-35.
5
-31.
4
-37.
0
-40.
8
-29.
0 18
7.5
-1 5
3.8
-1 2
2.0
-81 .O
-50.
0
-24.
2 40
.1
61.4
76.7
57.3
83.6
73.9
11 3.
6
146.
3
160.
8 18
7.5
-1 3
.7
31.7
60.0
48.0
-1.6
6
-3.0
1
-2.9
1
-3.0
9
-4.6
0
-6.2
2 -6
.15
-7.8
5
5.76
4.
76
4.40
4.16
4.49
4.05
4.22
3.60
2.90
2.79
1.
70
5.55
4.90
4.45
4.61
5.20
6.60
5.96
6.16
7.32
8.
05
8.14
8.80
2.85
2.80
3.34
3.32
3.68
4.
56
4.79
5.44
(2.9
3 ex
p.)
(2.7
7 ex
p.)
(3.3
5 ex
p.)
(3.3
6 ex
p.)
(4.8
6 ex
p.)
4.57
4.68
5.23
5.13
5.91
5.
81
6.13
6.25
0.98
(lb
ar)
0.42
0.
70
0.93
1.15
0.
84
(0.9
7 ex
p.)
(0.8
2 ex
p.)
(0.0
5 ex
p.)
(0.6
2 ex
p.)
(1.3
0 ex
p.)
(0.1
5 e
xp.)
(1.4
0 ex
p.)
(1.8
5 ex
p.)
2.27
-0
.04
1.29
0.
61
1.07
1.
27
2.01
-0
.16
1.47
1.
32
1.71
1.
78
2.61
0.
99
3.68
1.
01
1.35
(1
bar)
-0
.04
1.59
-0
.10
1.28
0.
66
1.19
0.
59
(-0.
05
exp.
)
(-0.
03 e
xp.)
(0.7
9 ex
p.)
(0.4
6 ex
p.)
0.91
1.
31
1.95
2.77
1.79
1.46
2.49
2.34
2.39
3.22
3.
93
1.27
1.48
1.86
2.09
Tric
hlor
oeth
ene
C,HC
I,
Tet
rach
loro
ethe
ne
c2c1
4
3-C
hlor
o-1 -
prop
ene
C3H
5CI
Bro
mom
etha
ne
Dib
rom
omet
hane
CH
,Br
CH,B
r,
Trib
rom
omet
hane
C
HB
r,
Bro
moe
than
e C
,H5B
r
Bro
moe
then
e C,H
,Br lo
dom
etha
ne
CH
31
1 ,e-
Dib
rom
oeth
ane
C!2
H4B
r2
lodo
etha
ne
C2
H5
1
Bro
moc
hlor
omet
hane
C
H,B
rCI
Bro
mod
ichl
orom
etha
ne
C H
BrC
I, D
ichl
orod
ifluo
rom
etha
ne
CCI,F
, (F
reon
12)
T
richl
orof
luor
omet
hane
CC
I,F
(Fre
on 1
1)
1,l
,2-T
richl
oro-
l,2,2
-trif
luor
oeth
ane
C,CI,F,
(Fre
on 1
1 3)
1,1,
2,2-
Tet
rach
loro
-l ,P
diflu
oroe
than
e C,
C14F
, (F
reon
11 2
)
Chl
orob
enze
ne
C6H
,CI
131.
4 1.
46
-73.
0 87
.0
4.00
165.
8 1.
62
-22.
4 12
1.1
3.40
76.5
0.
94
-135
.0
44.9
4.
70
Bro
min
ated
and Io
date
d C
- an
d C
,-Com
poun
d
94.9
1.
68 (L)
-93.
6 3.
6 5.
34
173.
9 2.
50
-52.
6 96
.7
3.81
252.
8 2.
89
8.3
149.
6 2.
86
109.
0 1.
45
-119
.0
38.4
4.
80
187.
9 2.
18
9.8
131.
5 3.
21
107.
0 1.
49 (
L)
-139
.5
15.8
5.
15
141.
9 2.
28
-66.
5 42
.5
4.73
156.
0 1.
94
-111
.0
72.4
4.
26
Mix
ed H
a/og
enat
ed C
- an
d C
2-C
ompo
unds
129.
4 16
3.8
120.
9
137.
4
187.
4
203.
8
11 2.
6
147.
0
147.
0
147.
0
181.
5 18
1.5
181.
5
1.93
-8
8.0
1.97
-5
7.1
1.33
(L)
-158
.0
1.18
-1
11.0
1.57
-3
5.0
1.64
-2
5.5
Ch/
orob
enze
nes
1.11
-4
5.2
1.30
-1
7.0
1.29
-2
4.7
1.25
53
.1
1.69
52
.0
1.45
17
.0
1.39
63
.5
68.1
90
.0
-29.
8
23.8
47.6
92.8
132.
0
180.
0
173.
0
174.
0
21 8.
5 21
3.5
208.
0
4.29
3.
82
5.75
5.03
4.68
3.87
3.20
2.30
2.45
2.05
1.45
1.
58
1.50
2.08
0.
31
(0.4
0 ex
p.)
(0.1
2 e
xp.)
(0.4
2 ex
p.)
3.07
-0
.08
1.33
0.
36
0.79
(1
bar)
0.
35
1.18
1.
40
1.91
1.
62
1.09
1.
50
1.63
1.
55
(1.2
0 ex
p.)
(1.7
2 ex
p.)
1.01
0.
66
1.60
0.
53
(0.6
5 ex
p.)
0.94
1.
16
1.55
1.
01
2.64
(1 b
ar)
-1.2
5
2.10
(lb
ar)
-0
.71
(-
1.18
ex
p.)
(-0.
61
exp.
)
(-1.
11
exp.
) 3.
04
-1.2
9
3.23
-0
.71
2.39
0.
80
3.05
1.
04
3.08
0.
86
3.30
1.
04
3.94
1.
01
3.78
1.
03
4.53
0.
36
(0.8
2 ex
p.)
(1 .O
O ex
p.)
(0.8
2 ex
p.)
(1.1
0 ex
p.)
2.42
2.88
1.45
1.19
1.
88
2.67
1.61
1.
96
1.57
1.
51
2.00
1.41
2.
10
2.16
2.53
3.16
3.73
2.78
3.40
3.47
3.45
4.14
4.
06
4.19
Com
poun
d N
ame
Mol
ecul
ar
For
mul
a
c-r
-log
q.y'
-l
og
Ya
w
logK
0,
PK,
t4
calc
ulat
ed
t4
0
(exp
erim
enta
l)
1,2,
3,4-
Tet
rach
loro
benz
ene
C6H
2C14
1,2,3,5-TetrachIorobenzene
C6H
2C14
1,2,4,5-TetrachIorobenzene
C6H
2C'4
Pen
tach
loro
benz
ene
C6H
C15
Hex
achl
orob
enze
ne
c6c1
6
Bip
heny
l 2-
CB
P (P
CB
1)
4-C
BP
(P
CB
3)
2,2'
-CB
P (P
CB
4)
2,4-
CB
P (P
CB
7)
2,4'
-CB
P (P
CB
8)
4,4'
-CB
P (
PC
B15
) 2,
2',5
-CB
P (
PC
BI 8
) 2,
4,4'
-CB
P (P
CB
28)
2,4,
5-C
BP
(PC
B29
) 2,
2',4
,4'-C
BP
(PC
B47
) 2,
2',5
,5'-C
BP
(P
CB
52)
3,3'
,4,4
'-CB
P (
PC
B77
) 2,
2',3
,4,5
'-CB
P (
PC
B87
) 2,
2',4
,5,5
'-CB
P (
PC
B10
1)
2,2'
,4,4
',5,5
'-CB
P (
PC
Bl5
3)
2,2,
3,4,
4,5,
5'-C
BP
(P
CB
l80
)
C12
HlO
ClZ
H9C
I C
l2H
8CIZ
C
l 2H
8CIZ
C
1zH
aC'z
C12
H8C
IZ
'1 2
H9
CI
C1Z
H7C
'3
C12
H7C
i3
'1 ZH
7C13
'1 2
H6
C1
4
'1 2
H6C
14
'1 ZH
6'I4
C1Z
H5C
15
C12
H5C
15
C12H
4C
16
'1 2H
&17
a he
xach
loro
cycl
ohex
ane
(a-H
CH
) C
6H6C
16
p hex
achl
oroc
yclo
hexa
ne (
6-H
CH
) C,H
,CI,
(lind
ane,
yH
CH
) y h
exac
hlor
ocyc
lohe
xane
C
6H
6C
16
p,p
'DD
T
1 4H
9C
'5
AP
' -D
DE
C
14H
8Ci4
A P
' -D D
D
C14
H10
C'4
21 5
.9
47.5
25
4.0
0.75
21
5.9
1.
86
54.5
24
6.0
1 .oo
21
5.9
14
0.0
243.
0 -0
.14
250.
3 1.
83
86.0
27
7.0
-0.6
6 28
4.8
2.08
23
0.0
322.
0 -2
.60
Po/y
chlo
hafe
d B
iphenys
(PC
Bs)
, S
elec
fed
Con
gene
rs
154.
2 0.
87
71.0
25
5.9
0.11
18
8.6
0.98
34
.0
274.
0 -0
.30
188.
6 0.
98
77.7
29
1.0
-0.5
7 22
3.1
1.05
61
.O
-0.5
8 22
3.1
1.05
24
.4
-0.6
0 22
3.1
1.05
45
.0
-1 .
I0
223.
1 1.
05
148.
5 -2
.30
257.
5 1.
15
44.0
-0
.84
257.
5 i .i
5
57.5
-1
.70
257.
5 1.
15
78.5
-1
.95
292.
0 1.
20
41.5
-2
.00
292.
0 1.
20
86.5
-2
.30
292.
0 1.
20
180.
0 32
6.4
1.28
11
2.0
-3.5
2 32
6.4
1.28
77
.0
-2.9
6 36
0.9
103.
5 -3
.92
395.
4 10
9.5
Mis
cela
nous
Po/
ych/
oflh
afed
Com
poun
ds
290.
8 15
8.0
-2.5
2 29
0.8
309.
5 -4
.40
290.
8 11
2.0
-2.1
5
354.
5 1.
55
109.
0 31
8.0
89.0
32
0.0
109.
5
-4.7
0 -3
.20
-3.9
0
4.69
4.
79
5.23
5.
58
7.55
4.34
4.
54
5.19
5.
35
5.25
5.
35
6.57
5.
80
6.20
6.
26
6.51
6.
99
7.47
7.
91
7.51
8.
55
5.28
6.46
4.
60
7.80
6.
90
6.80
k
0.95
4.
64
0.60
4.
66
'd x
1.3
0
4.72
5 E
1.47
5.
18
1.44
5.
80
x
(1.5
4 ex
p.)
1.93
4.
01
1.55
4.
53
1.77
4.
61
1.62
4.
97
1.74
5.
30
2.14
5.
10
2.12
5.
33
1.43
5.
60
1.89
5.
62
2.08
5.
90
1.88
6.
29
1.70
6.
09
6.50
2.
00
6.37
1.
83
6.36
1.
76
7.15
2.
36
7.36
3.63
3.
81
4.33
3.
80
3.94
3.
78
3.30
6.
36
2.69
5.
70
3.49
5.
50
Dim
ethy
l eth
er
Die
thyl
eth
er
Met
hyl- t
-but
yl-e
ther
(MB
TE
) D
i-n-p
ropy
l eth
er
Di-i
sopr
opyl
eth
er
n-B
utyl
-eth
yl e
ther
D
-n-b
uty
l eth
er
Eth
ylen
e ox
ide
(epo
xyet
hane
) P
ropy
lene
oxid
e (e
poxy
prop
ane)
T
etra
hydr
ofur
an
1,4-
Dio
xane
1 -
Chl
oro-
2,3-
epox
ypro
pane
(e
pich
loro
hydr
ine)
D
i-2-c
hlor
oeth
yl e
ther
M
etho
xybe
nzen
e (a
niso
le)
Eth
oxyb
enze
ne (p
hene
tole
) S
tyre
neox
ide
Dib
enzo
-p-d
ioxi
n (D
D)
1-C
DD
2,
7-D
CD
D
1,2,
3,4-
TC
DD
2,
3,7,
8-T
CD
D
1,2,
3,4,
7-P
CD
D
1,2,
3,4,
7,8-
HC
DD
O
ctac
hlor
o-D
D
Dib
enzo
fura
n (D
F)
2,8-
DC
DF
2,
3,7,
8-T
CD
F
2,3,
4,7,
8-P
CD
F
1,2,
3,4,
7,8-
HC
DF
O
ctac
hlor
o-D
F
AhN
hatic
Eth
ers
46.1
0.
67
-141
.5
-24.
8 74
.1
0.71
-1
16.3
34
.5
88.2
0.
74
-109
.0
55.2
10
2.2
0.75
-1
23.2
90
.1
102.
2 0.
73
-85.
5 68
.5
102.
2 0.
75
-103
.0
92.2
130.
2 0.
77
-95.
2 14
0.3
Mis
ce//a
neou
s Eth
ers
/nc/
udng E
poxi
des
44.1
0.
87
-111
.0
10.7
58
.1
0.83
-1
12.1
34
.2
72.1
0.
89
-108
.5
66.0
88
.1
1.03
11
.0
101.
1 92
.5
1.18
-5
7.2
116.
2
143.
0 1.
22
-46.
8 17
8.0
108.
2 0.
99
-37.
5 15
3.6
122.
2 1.
07
-31.
0 16
9.5
120.
2 1.
05
-35.
6 19
4.1
5.77
4.85
4.
51
3.92
4.
30
3.90
2.
95
5.16
4.
85
4.33
3.
70
3.36
2.31
2.
67
2.31
1.
60
Po/
ych/
ofln
ated
Dib
enzo
-p-D
ioxi
ns (F
CD
Ds)
, S
e/ec
ted C
onge
ners
C12
H80
2 18
4.0
123.
0 28
3.5
-1.2
6
C12
H,C
I0,
218.
5 10
5.5
315.
5 -1
.92
C12
H6C
1202
25
3.0
210.
0 37
3.5
-3.9
2
Cl,H,
C140
, 32
2.0
190.
0 41
9.0
-5.2
0
C12
H4C
I,02
322.
0 30
5.0
446.
5 -6
.70
C12
H,C
I,02
356.
4 19
6.0
464.
7 -7
.05
C12
H2C
1602
39
1 .O
273.
0 48
7.7
-8.2
9 46
0.0
322.
0 51
0.0
-1 0
.00
Cl 2
CP
2
Po/
ych/
/Ona
ted D
iben
zo fu
rans
(PC
DFs)
, S
e/ec
ted
Con
gene
rs
C12
H80
16
8.2
86.5
28
7.0
-0.5
2
C,,H
6C12
0 23
7.1
184.
0 37
5.0
-3.4
1
C12
H,C
140
306.
0 22
7.0
438.
0 -5
.70
Cl2
H3C
I50
340.
4 11
96.0
46
4.7
-6.4
6
C12
H2C
160
374.
9 22
5.5
487.
7 -7
.50
c12c
1602
44
3.8
258.
0 53
7.0
-9.3
0
(1.4
0 ex
p.)
0.05
1.
49
0.34
1.
54
1.50
0.
97
1.10
0
.98
1.
20
I .29
2.75
0.
69
-0.9
3 (1
bar)
-0
.91
mis
cibl
e (2
.55
exp.
) m
isci
ble
(3.7
1 ex
p.)
0.15
2.
88
1.15
2.
93
1.80
1.
92
2.18
1.
90
1.63
3.
16
5.33
5.
72
7.83
8.
77
10.2
2 9.
48
10.9
4 12
.79
2.32
2.
59
2.48
2.
82
2.87
3.
96
3.74
3.
60
4.55
2.
36
7.21
2.
59
8.86
3.
23
9.16
3.
87
10.6
6 3.
23
11.5
8 4.
11
0.10
0.89
0.
94
2.03
1.
52
2.03
3.21
-0.3
0 0.03
0.46
0.30
1.29
2.
11
2.51
1.
55
-0.2
7
4.30
4.
90
5.70
6.
60
6.80
7.
40
7.80
8.
20
4.31
5.44
6.
10
6.50
7.
00
8.00
c)
Y
w
Com
poun
d N
ame
Mol
ecul
ar
Y
P,
Gl
r, lo
g p
,*lP
a -lo
g q;'
-l0
gY
aw
log
K;,,
PK;,
t4
0
A
calc
ulat
ed
(exp
erim
enta
l) F
orm
ula
(g.m
ol-')
(g
cma
) ("
C)
("C
)
Phe
nol
2-M
ethy
lphe
nol (
0-c
reso
l)
3-M
ethy
lphe
nol (
m-c
reso
l)
4-M
ethy
lphe
nol (
p-c
reso
l)
4-E
thyl
phen
ol
2,6-
Dim
ethy
lphe
nol
3,C
Dim
ethy
lp he
nol
2,4,
6-T
rimet
hylp
heno
l 4-
n-B
utyl
p he
nol
4- t-
But
ylph
enol
4-
n-O
ctyl
p hen
ol
4-n
-No
nyl
ph
em
!
2-C
hlor
ophe
nol
3-C
hlor
ophe
nol
4-C
hlo
roph
enol
2,
4-D
ichl
orop
heno
l 2,
4,5-
Tric
hlor
ophe
nol
2,4,
6-T
richl
orop
heno
l 2,
3,4,
5-T
etra
chlo
roph
enol
2,
3,4,
6-T
etra
chlo
roph
enol
P
enta
chlo
roph
enol
2-N
itrop
heno
l
3-N
itrop
heno
l 4-
Nitr
ophe
noi
2,4-
Din
itrop
heno
l 2,4
-Din
itr0-6
-meth
ylphenol
(din
itro
-ocr
eso
l; D
NO
C)
C6H
60
C7H
80
C7H
80
C7H
80
C8H
100
C,Hl
,O
C9H
12O
C
8H10
0
'1 OH,,'
C10
H14
0
C14
H22
0
C15
H24
G
C,H,
CIO
C,
H,CI
O
C,H,
CIO
C
6H4C
I,0
C,H,CI,
O C,H
,CI,O
C
,H2C
I,0
C,H,CI
,O
C6H
CI,0
C6H!
iN03
C6H
5N03
c6H
5N03
C6H
4N2'5
C7H
6N20
5
94.1
108.
1
108.
1 10
8.1
122.
2 12
2.2
122.
2 13
6.2
150.
2 15
0.2
206.
3 22
0.4
128.
6 12
8.6
128.
6 16
3.0
197.
5 19
7.5
231.
9 23
1.9
266.
3
139.
1
139.
1 13
9.1
184.
6 19
8.1
A/k
y/ate
d P
heno
/s
1.05
40
.9
181.
8
1.05
30
.7
191.
0
1.03
11
.9
202.
1 1.
03
35.2
20
1.9
1.03
47
.0
219.
0 1.
13
49.0
20
3.0
1.14
67
.0
72.0
0.
98
22.0
24
8.0
99.0
23
8.0
41.5
1.
51
96.0
29
5.0
Ch
/orin
ted
Pbe
no/s
1.26
9.
8 17
5.2
1.25
32
.6
214.
0 1.
31
42.7
21
9.0
1.38
43
.7
213.
0 1.
50
62.5
68
.8
243.
5 11
7.0
69.5
18
9.3
Nifr
opbe
no/s
1.55
44
.7
215.
0
96.5
1.
48
11 4.
0 11
4.1
86.5
1.79
0.
005
1.60
0.
61
1.30
0.
67
1.20
0.
75
0.80
1.
18
1.28
1.
29
-0.0
7 1.
40
0.82
2.
10
2.31
0.
08
2.11
-1
.14
4.18
-1
.15
4.64
2.50
0.
65
1.54
0.
69
1.27
0.
68
1.20
1.
57
0.62
2.
22
0.37
2.
37
-1 .o
o 3.
15
-0.5
5 3.
10
-2.0
4 4.
15
1.26
2.
03
1.03
-2
.26
0.98
2.
74
-1 .
I4
3.00
4.59
4.18
4.42
4.
44
4.40
3.
70
5.06
3.
47
4.20
3.
35
2.89
(4.7
9 ex
p.)
(4.3
0 ex
p.)
(4.4
9 ex
p.)
(3.5
6 ex
p.)
3.24
4.
16
4.43
3.61
3.
55
3.65
4.
24
3.84
4.
28
3.10
(3
.40
exp.
)
7.66
4.53
1.98
10
.05
1.93
10
.25
2.50
10
.00
2.36
10
.63
2.23
10
.34
2.73
10
.90
3.64
3.
14
9.90
5.76
2.19
8.
44
2.48
8.
98
2.42
9.
29
3.09
7.
85
3.90
6.
91
3.67
6.
19
4.87
6.
35
4.45
5.
40
5.24
4.
83
1.78
7.
15
2.00
8.
36
1.96
7.
06
1.66
4.
01
2.12
4.
31
Mis
ce//a
neou
s Phe
noLc
Com
poun
ds
1,2-
Dih
ydro
xybe
nzen
e (ca
tech
ol)
1,3-
Dih
ydro
xybe
nzen
e (r
esor
cino
l)
1,4-
Dih
ydro
xybe
nzen
e (h
ydro
quin
one)
2-
Met
hoxy
phen
ol (g
uaia
col)
4,5-Dichloro-2-rnethoxyphenol
(4,5
-dic
hlor
ogua
iaco
I)
3,4,
5-tr
ichl
oro-
2-m
etho
xyph
enol
(3,4,5-Trichloro-guaiacol)
4,5,
6-T
richl
oro-
2-m
etho
xyph
enol
(4
,5,6
-tric
hlor
o-gu
aiac
ol)
Tetrachloro-2-methoxyphenol
(tet
rach
loro
guai
col)
Met
hana
l (fo
rmal
dehy
de)
Eth
anal
(ace
tald
ehyd
e)
Pro
pana
l n
Bu
tan
al (
buty
rald
ehyd
e)
iso-
But
anal
(iso
buty
rald
ehyd
e)
n-P
enta
nal
(val
eral
dehy
de)
Hex
anal
2-P
rope
nal (
acro
lein
) B
enza
ldeh
yde
Pro
pano
ne (a
ceto
ne)
But
anon
e 2-
Pen
tano
ne
2-H
exan
one
Cyc
lohe
xano
ne
Met
hyl-p
heny
l-ket
one
(ace
top h
en on
e)
Dip
heny
lket
one
(ben
zoph
enon
e)
110.
1
110.
1
110.
1
124.
1
193.
0
227.
5
227.
5
261.
9
30.0
44
.1
58.1
72
.1
72.1
86
.1
100.
2
56.1
10
6.1
58.1
72
.1
86.1
100.
2 98
.1
120.
2
182.
2
1.15
1.27
1.33
0.78
0.
87
0.80
0.81
0.
85
0.84
1.
04
0.79
0.
81
0.81
0.81
0.
95
1.03
104.
0
110.
0
172.
0
32.0
74.0
85.5
113.
5
121.
5
Ald
ehyd
es
-92.
0 -1
23.
0 -8
0.0
-96.
4
-65.
0 -9
3.5
-56.
0
-87.
3 -2
6.0
Ket
ones
-94.
7 -8
7.0
-76.
9
-55.
8 -3
2.1
19.6
48.0
245.
0
277.
0
287.
0
205.
0
-21
.oo
20.8
48
.0
74.8
64.1
10
3.0
131.
0
52.6
17
8.8
56.1
79
.6
102.
3
128.
6 15
5.6
202.
0
305.
4
-0.6
5
-2.9
3
-2.5
9
1.32
-0.2
4
-0.7
9
-1.4
9
-1.8
0
5.72
5.
08
4.63
4.
19
4.36
3.
66
3.17
4.56
2.
24
4.50
4.
09
3.70
3.20
2.
78
1.67
-1.0
5
0.39
0.00
0.20
0.70
2.52
2.86
3.62
4.00
0.01
1.30
1.55
mis
cibl
e
0.16
0.76
0.
63
1.35
2.82
(6.6
5)
(9.3
2)
(8.7
8)
4.38
4.11
4.32
4.26
4.19
(4.2
8 ex
p.)
(4.9
0 ex
p.)
(2.5
2 ex
p.)
(2.5
0 ex
p.)
(2.3
3 ex
p.)
(2.1
0 ex
p.)
(2.2
2 ex
p.)
(2.0
6 ex
p.)
(2.2
7 ex
p.)
(2.9
5 ex
p.)
2.20
1.92
2.60
(2.8
0 ex
p.)
(2.6
0 ex
p.)
2.53
(2
.58
exp.
) 2.
43
2.98
3.
37
4.62
0.88
0.80
0.59
1.32
3.26
3.77
3.74
4.45
0.45
0.
59
0.88
1.78
-0.0
1 1.
48
-0.2
4 0.
29
0.90
1.38
0.
71
1.63
3.18
9.34
12
.60
9.32
11
.10
9.85
11
.40
8.52
7.56
7.07
6.26
P
% E
’d
3
x
CI
-lOgy
,, ~
0g
Yo
w P
y,
t4
calc
ulat
ed
Q\
log
p,?l
Pa
-log
C:' 0
C
ompo
und
Nam
e M
olec
ular
4.
Pi
am
Tb
For
mul
a (g
.mol
-I)
(gcm
4)
("C
) ("
C)
(exp
erim
enta
l)
Ace
tic a
cid
Pro
pano
ic a
cid
But
anoi
c ac
id (
buty
ric a
cid)
Hex
anoi
c ac
id
Ben
zoic
aci
d P
heny
lace
tic a
cid
Sal
icyl
ic a
cid
(2-h
ydro
xy b
enzo
ic a
cid)
o-
Pht
halic
aci
d
Met
hyl a
ceta
te
Eth
yl a
ceta
te
Pro
pyl a
ceta
te
But
yl a
ceta
te
Hex
yl a
ceta
te
Vin
yl a
ceta
te
Met
hyl b
enzo
ate
Eth
yl b
enzo
ate
Dim
ethy
lpht
hala
te
Die
thyl
phth
alat
e D
i-n-p
ropy
l-pht
hala
te
Di-n
-but
yl-p
htha
late
B
enzy
s-n-
buty
l-pht
hasa
~e
Di-(
2-et
hylh
exyl
)-ph
thal
ate
Am
inob
enze
ne (a
nilin
e)
2-M
ethy
lani
line
(o-t
olui
dine
)
C2H
402
C3H
602
C4H
802
C6H
1202
C7H
602
C8H
802
C7H
603
C8H
604
C3H
602
C4
H8
02
CA
0
02
C6H
1202
C8H
1602
C4H
602
C8H
802
C9
Hl0
02
'1 O
Hl
0'4
C1
2H
l 4'4 8'4
'1 6H
2204
1 !3H
2004
C24
H38
Q4
C6
HP
C7
HP
60.1
74
.1
88.1
116.
1 12
2.1
136.
2 13
8.1
166.
1
74.1
88.1
102.
1
116.
2
144.
2 86
.1
136.
2 15
0.2
194.
2 22
2.2
250.
3 27
8.3
312.
4 39
0.6
93.1
10
7.2
Car
boxy
kc A
cids
16.7
11
7.9
0.99
-2
0.7
141.
1 0.
96
-5.7
16
3.7
0.93
-3
.5
205.
0 1.
27
122.
4 24
9.2
77.0
26
5.0
1.44
15
9.0
211.
0
210.
0
Car
boxy
kc A
cid
Est
ers
0.93
-9
8.1
56.9
0.90
-4:
.5
77.1
0.89
-9
5.0
101.
5
0.88
-7
3.5
126.
1
0.88
-8
0.9
171.
5 0.
93
-92.
8 72
.5
1.09
-1
2.1
199.
5 1.
05
-34.
0 21
2.4
Fhi
haht
es
1.19
5.
5 28
3.7
1.23
-4
0.5
296.
0
304.
5 1.
05
-35.
0 34
0.0
1 .12
<
-35
.0
370.
0 0.
98
-50.
0 38
5.0
Aro
mat
ic A
mih
es
1.01
-6
.3
184.
4 1 .
oo
-16.
3 20
0.3
3.32
2.
70
2.18
0.70
-0
.96
-0.0
8 -1
.70
4.46
4.10
3.65
3.20
2.27
4.
15
1.72
1.
38
0.38
-0
.66
-2.2
8 -2
.94
-2.7
2
1.92
1.
55
mis
cibl
e m
isci
ble
0.19
1.55
0.
92
1.78
1.38
-0.5
2
-0.0
4
0.67
1.28
2.46
0.
64
1.81
2.
63
1.66
2.
44
3.36
4.
36
5.08
7.
13
0.44
0.
82
(4.9
5 ex
p.)
(4.7
4 ex
p.)
4.02
(4
.66
exp.
) (4
.56
exp.
) 5.
80
5.55
5.
31
2.45
2.33
2.07
1.91
1.66
1.
60
2.86
2.
38
(2.0
4 ex
p.)
(2.1
6 e
xp.)
(2.0
5 ex
p.)
(1.9
4 ex
p.)
4.35
4.
61
4.31
4.
25
1.98
4.03
4.
02
-0.2
5 0.
33
0.79
1.92
1.
89
1.41
2.
24
0.73
0.20
0.69
1.24
1.80
2.83
0.
73
2.20
2.
64
1.53
2.
39
3.27
4.
61
4.91
7.
48
0.95
1
.32
>
'd 5
4.75
4.85
3
4.87
4.
19
4.31
2.
97
13.4
0 2.
89
5.51
4.87
E
4.63
4.
44
3-M
ethy
lani
line
(m-t
olui
dine
) 4-
Met
hyla
nilin
e (p
-tol
uidi
ne)
2,6-
Dim
ethy
lani
line
3,4-
Dim
ethy
lani
line
N,N
-Dim
ethy
lani
line
2-C
hlor
oani
line
3-C
hlor
oani
line
4-C
hlo
roan
iline
3,
4-D
ichl
oroa
nilin
e N
-Phe
nyla
nilin
e (d
iphe
nyla
min
e)
4,4'
-Dia
min
obip
heny
l (be
nzid
ine)
C7H
9N
C,H9
N
C*H
llN
C8H
11N
'BH1l
C,H,
CIN
C,H,
CIN
C,H,CI
N C
,H5C
12N
C12
HllN
C
12H
12N
2
107.
2 10
7.2
121.
2 12
1.2
121.
2 12
7.6
127.
6 12
7.6
162.
0 16
9.2
184.
2
0.99
-3
1.5
1.04
43
.7
0.98
11
.2
51 .O
2.5
1.21
-1
4.0
1.
22
-1 0
.3
1.43
71
.O
71 .O
1.16
53
.0
120.
0
203.
3 20
0.4
214.
0 22
8.0
194.
0 20
8.8
229.
5 23
1.3
272.
0 30
2.0
401 .O
1.42
1.
60
1.30
1.95
1.
54
0.98
0.
40
0.36
-1
.22
0.85
1.
15
1.41
1.
65
2.04
1.
53
1.37
1.
64
3.24
3.
53
2.66
4.12
3.
64
3.68
1.40
1.
39
1.84
1.
84
2.31
1.
88
1.99
1.
83
2.70
3.
50
1.34
4.72
5.
17
3.95
5.
28
5.12
2.
65
3.52
4.
00
2.97
0.
90
3.57
4.
66
3.92
4.
15
2.40
3.
32
4.04
4.
35
2.79
4.
08
1 -N
apht
hyla
min
e 2-
Nap
hthy
lam
ine
143.
2 14
3.2
1.13
49
.5
300.
9 1.
06
111.
5 30
6.0
1.92
5.
34
5.48
2.
25
2.30
Ahp
hafic
Am
ines
-92.
5 -9
6.0
-1 1
7.2
-81 .O
0.71
-4
9.5
0.
72
-83
.0
0.74
-5
0.0
0.77
-2
2.9
Met
hyla
min
e D
imet
hyla
min
e T
rimet
hyla
min
e E
thyl
amin
e D
ieth
ylam
ine
n-P
ropy
lam
ine
n-B
uthy
lam
ine
n-H
exyl
amin
e
31.1
45
.1
59.1
45
.1
73.1
59
.1
73.1
10
1.2
-6.5
7.
4 2.
9 16
.6
56.1
48
.7
77.9
13
2.8
5.55
5.
31
5.34
5.
15
4.50
4.
62
4.11
3.
07
(3.3
4 ex
p.)
(3.1
5 ex
p.)
(2.5
6 ex
p.)
(3.3
0 ex
p.)
(2.9
8 ex
p.)
(3.2
2 ex
p.)
(3.1
1 ex
p.)
(2.9
0 ex
p.)
3.07
-0.5
7 -0
.38
0.
27
-0.1
3
0.50
0.
32
0.98
2.
06
10.8
0 9.
80
10.8
0 10
.90
10.7
0 10
.70
0.25
Hete
rocy
cic N
-Com
pound!
0.98
-4
1.6
115.
3 0.
94
-66.
7 12
9.4
0.95
-1
8.1
144.
1 0.
95
3.7
145.
4 0.
94
-15.
5 16
3.5
0.92
-6
.1
144.
1 1.
10
-14.
8 23
7.1
Pyr
idin
e 2-
Met
hylp
yrid
ine
(2-p
icol
ine)
3-
Met
hylp
yrid
ine
(3-p
icol
ine)
4-
Met
hylp
yrid
ine
(4-p
icol
ine)
2,
3-D
imet
hylp
yrid
ine
(2,3
-lutid
ine)
2,
6-D
imet
hylp
yrid
ine
(2,6
-lutid
ine)
Q
uino
line
79.1
93
.1
93.1
93
.1
107.
2 10
7.2
129.
2
3.44
3.
18
3.12
2.
88
2.62
2.
87
0.08
(3.4
4 ex
p.)
(3.4
0 ex
p.)
(3.5
0 ex
p.)
(3.6
2 ex
p.)
(3.5
4 ex
p.)
(3.3
7 ex
p.)
(4.2
0 ex
p.)
4.98
0.65
1 .ll
1.22
1.
22
1.65
1.
68
2.06
5.25
5.
97
5.67
5.
99
6.57
+p
6.65
4.
90
? 5
5.40
0
X
1.33
isoq
uino
line
129.
2 1.
10
26.5
24
3.2
Nitr
ohen
zene
s
1.20
5.
7 21
0.8
1.16
-9
.9
222.
0 N
itrob
enze
ne
2-M
ethy
lnitr
oben
zene
(2
-nitr
otol
uene
)
123.
1 13
7.1
1.48
1.
43
1.79
2.
35
3.12
2.
61
1.85
2.
30
U
Com
poun
d N
ame
+
0
00
Mol
ecul
ar
m pi
Jm
Tb
-1
0gya
w
logy,,
PK
;, h,
For
mul
a (g
.mol
-')
(gcm
")
("C
) ("
C)
log
p,*lP
a -lo
g qrt
calc
ulat
ed
(exp
erim
enta
l)
3-M
ethy
lnitr
oben
zene
(3
-nitr
otol
uene
) 4-
Met
hyln
itrob
enze
ne
(4-n
itrot
olue
ne)
2-C
hlo
roni
trob
enze
ne
3-C
hlor
onitr
oben
zene
4-
Chl
oron
itrob
enze
ne
1,3-
Din
itrob
enze
ne
1 -M
ethy
l-2,4
-din
itrob
enze
ne
(2.4
-din
itrot
olue
ne)
1,3-
Din
itr0-
2-m
ethy
lben
zene
(2
,6-d
initr
otol
uene
) 1,
3,5T
rinitr
oben
zene
2-
Met
hyl-l
,3,5
-trin
itrob
enze
ne
(2,4
,64r
initr
otol
uene
'TN
T")
Sim
azin
e A
traz
ine
Cya
nazi
ne
Pro
pach
lor
Ala
chlo
r M
etol
achl
or
Car
bary
l C
arbo
fura
n F
enur
on
Diu
ron
lsop
rotu
ron
Trib
utyl
phos
phat
e T
ri-o-
cres
ylph
osph
at
Par
athi
on
Met
hylp
arat
hion
F
enth
ion
Dis
ulfo
ton
C7H
7N02
C7H
7N02
C6H
4C
IN0
2
C6H
4C
IN0
2
C6H
4CIN
02
C6H
4N20
4
C7H
6N20
4
C7H
6N20
4
C6H
3N30
6
C7H
5N30
6
C7H
12C
IN5
C8H
10C
IN5
C9H
13C
IN6
C,,H
,,CIN
O
C,,H
,,CIN
O
'1 5H
22C
IN02
C
l 2%
N
O2
C9H
l 2N
2O
C9H
lOC
IZN
ZO
Cl 2
H18
NZO
C12
H15
N03
'1 2H
270,P
137.
1 15
.9
232.
0 1.
28
137.
1 1.
39
51.6
23
8.3
1.20
157.
6 33
.0
245.
3 0.
70
157.
6 15
7.6
45.0
23
5.6
0.27
83.3
24
0.5
0.44
168.
1 89
.9
301.
9 -1
.92
182.
1 1.
52
70.3
-1
.54
182.
1 1.
28
65.5
-1
.12
213.
1 22
7.1
122.
9 80
.8
-1.8
2 -3
.07
Pia
zine
-, C
arba
mid
e-, C
arba
ma f
e-, a
nd U
rea
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