Physical Properties
Property
Value
Unit
Source
PAff
625.70
kJ/mol
NIST
BasG
607.80
kJ/mol
NIST
Δc H°gas
[-2219.90; -2204.00]
kJ/mol
Δc H°gas
-2219.20 ± 0.46
kJ/mol
NIST
Δc H°gas
-2204.00 ± 0.54
kJ/mol
NIST
Δc H°gas
-2219.90 ± 0.50
kJ/mol
NIST
Δc H°gas
-2207.00
kJ/mol
NIST
Δf G°
-25.62
kJ/mol
Joback
Calculated Property
Δf H°gas
-104.70 ± 0.50
kJ/mol
NIST
Δf H°gas
-103.80 ± 0.59
kJ/mol
NIST
Δf H°liquid
-119.80 ± 0.59
kJ/mol
NIST
Δfus H°
3.53
kJ/mol
Joback
Calculated Property
Δvap H°
16.25
kJ/mol
NIST
IE
[10.90; 11.51]
eV
IE
10.94 ± 0.05
eV
NIST
IE
11.00 ± 1.00
eV
NIST
IE
10.96
eV
NIST
IE
10.90 ± 0.10
eV
NIST
IE
11.27 ± 0.05
eV
NIST
IE
11.01 ± 0.07
eV
NIST
IE
10.94 ± 0.05
eV
NIST
IE
10.97
eV
NIST
IE
11.06
eV
NIST
IE
11.09 ± 0.05
eV
NIST
IE
11.12
eV
NIST
IE
10.95 ± 0.05
eV
NIST
IE
11.22
eV
NIST
IE
11.07
eV
NIST
IE
11.07
eV
NIST
IE
11.51
eV
NIST
IE
11.50
eV
NIST
IE
11.50 ± 0.10
eV
NIST
IE
11.50
eV
NIST
log Poct/wat
1.42
Crippen
Calculated Property
Pc
[4239.00; 4910.00]
kPa
Pc
4250.00 ± 10.00
kPa
NIST
Pc
4244.00 ± 5.00
kPa
NIST
Pc
4579.00 ± 20.00
kPa
NIST
Pc
4247.50 ± 10.00
kPa
NIST
Pc
4250.00
kPa
NIST
Pc
4260.00 ± 5.00
kPa
NIST
Pc
4247.66 ± 0.10
kPa
NIST
Pc
4243.00 ± 10.00
kPa
NIST
Pc
4260.00 ± 20.00
kPa
NIST
Pc
4247.46
kPa
NIST
Pc
4247.09 ± 2.00
kPa
NIST
Pc
4239.00 ± 0.42
kPa
NIST
Pc
4242.04
kPa
NIST
Pc
4253.73 ± 3.44
kPa
NIST
Pc
4255.00 ± 2.00
kPa
NIST
Pc
4255.00 ± 2.00
kPa
NIST
Pc
4261.00 ± 2.00
kPa
NIST
Pc
4261.00 ± 2.00
kPa
NIST
Pc
4261.00 ± 2.00
kPa
NIST
Pc
4253.70 ± 3.44
kPa
NIST
Pc
4260.25 ± 20.68
kPa
NIST
Pc
4260.00 ± 50.66
kPa
NIST
Pc
4249.00 ± 10.13
kPa
NIST
Pc
4249.00 ± 20.68
kPa
NIST
Pc
4350.00 ± 101.32
kPa
NIST
Pc
4390.00 ± 206.80
kPa
NIST
Pc
4256.66 ± 5.06
kPa
NIST
Pc
4435.00 ± 55.15
kPa
NIST
Pc
Outlier 4600.00 ± 405.30
kPa
NIST
Pc
4255.65 ± 50.66
kPa
NIST
Pc
4460.00 ± 202.65
kPa
NIST
Pc
Outlier 4910.00 ± 607.95
kPa
NIST
Ptriple
0.00 ± 0.00
kPa
NIST
Ptriple
0.00
kPa
NIST
S°liquid
171.00
J/mol×K
NIST
Tboil
[228.65; 231.65]
K
Tboil
231.10
K
NIST
Tboil
231.10
K
NIST
Tboil
231.06
K
NIST
Tboil
231.07 ± 0.02
K
NIST
Tboil
231.10 ± 0.20
K
NIST
Tboil
231.10 ± 0.40
K
NIST
Tboil
231.10 ± 0.20
K
NIST
Tboil
231.15 ± 1.00
K
NIST
Tboil
231.10 ± 0.20
K
NIST
Tboil
231.00 ± 0.50
K
NIST
Tboil
231.15 ± 1.00
K
NIST
Tboil
231.65 ± 0.50
K
NIST
Tboil
231.05 ± 0.20
K
NIST
Tboil
231.15 ± 1.00
K
NIST
Tboil
231.01 ± 0.03
K
NIST
Tboil
230.95 ± 0.60
K
NIST
Tboil
230.56
K
NIST
Tboil
230.98 ± 0.07
K
NIST
Tboil
230.80 ± 0.20
K
NIST
Tboil
Outlier 228.65 ± 0.50
K
NIST
Tboil
Outlier 228.70 ± 0.30
K
NIST
Tc
[364.59; 375.00]
K
Tc
369.80 ± 0.10
K
NIST
Tc
369.77 ± 0.20
K
NIST
Tc
Outlier 364.59 ± 0.15
K
NIST
Tc
369.83 ± 0.10
K
NIST
Tc
369.82
K
NIST
Tc
369.91 ± 0.10
K
NIST
Tc
369.85 ± 0.07
K
NIST
Tc
369.98 ± 0.05
K
NIST
Tc
369.80
K
NIST
Tc
370.00 ± 0.20
K
NIST
Tc
369.85
K
NIST
Tc
369.85 ± 0.10
K
NIST
Tc
369.80 ± 0.00
K
NIST
Tc
369.80
K
NIST
Tc
369.74 ± 0.20
K
NIST
Tc
369.76 ± 0.10
K
NIST
Tc
369.76 ± 0.10
K
NIST
Tc
369.80 ± 0.15
K
NIST
Tc
369.75 ± 0.15
K
NIST
Tc
369.75 ± 0.15
K
NIST
Tc
369.75 ± 0.15
K
NIST
Tc
369.74 ± 0.20
K
NIST
Tc
370.02 ± 0.20
K
NIST
Tc
370.00 ± 0.40
K
NIST
Tc
369.90 ± 0.40
K
NIST
Tc
369.81 ± 0.06
K
NIST
Tc
369.81 ± 0.22
K
NIST
Tc
370.45 ± 1.00
K
NIST
Tc
370.20 ± 1.00
K
NIST
Tc
372.00 ± 2.22
K
NIST
Tc
369.96 ± 0.05
K
NIST
Tc
Outlier 373.30 ± 0.55
K
NIST
Tc
367.80 ± 0.60
K
NIST
Tc
370.70 ± 1.00
K
NIST
Tc
370.15 ± 1.00
K
NIST
Tc
370.00 ± 3.00
K
NIST
Tc
Outlier 375.00 ± 5.00
K
NIST
Tfus
[83.25; 86.05]
K
Tfus
85.50 ± 0.20
K
NIST
Tfus
85.46 ± 0.20
K
NIST
Tfus
83.25 ± 0.50
K
NIST
Tfus
86.05 ± 0.15
K
NIST
Tfus
85.35 ± 0.50
K
NIST
Ttriple
[81.22; 85.52]
K
Ttriple
85.47 ± 0.05
K
NIST
Ttriple
85.47
K
NIST
Ttriple
85.52 ± 0.01
K
NIST
Ttriple
Outlier 81.22 ± 0.00
K
NIST
Ttriple
85.47 ± 0.05
K
NIST
Ttriple
85.45 ± 0.07
K
NIST
Ttriple
83.25 ± 0.30
K
NIST
Vc
[0.20; 0.20]
m3 /kg-mol
Vc
0.20
m3 /kg-mol
NIST
Vc
0.20 ± 0.00
m3 /kg-mol
NIST
Vc
0.20 ± 0.00
m3 /kg-mol
NIST
Vc
0.20 ± 0.00
m3 /kg-mol
NIST
Temperature Dependent Properties
Property
Value
Unit
Temperature (K)
Source
Cp,gas
[48.91; 140.62]
J/mol×K
[148.20; 693.15]
Cp,gas
48.91
J/mol×K
148.2
NIST
Cp,gas
50.38
J/mol×K
157.8
NIST
Cp,gas
58.58
J/mol×K
213.1
NIST
Cp,gas
59.29
J/mol×K
219.2
NIST
Cp,gas
65.90
J/mol×K
258.0
NIST
Cp,gas
67.74
J/mol×K
272.38
NIST
Cp,gas
72.67 ± 0.07
J/mol×K
293.15
NIST
Cp,gas
73.55
J/mol×K
300.37
NIST
Cp,gas
76.11 ± 0.08
J/mol×K
313.15
NIST
Cp,gas
80.30 ± 0.08
J/mol×K
333.15
NIST
Cp,gas
80.54
J/mol×K
334.05
NIST
Cp,gas
82.26
J/mol×K
343.65
NIST
Cp,gas
84.40 ± 0.08
J/mol×K
353.15
NIST
Cp,gas
85.19
J/mol×K
360.05
NIST
Cp,gas
87.45
J/mol×K
368.55
NIST
Cp,gas
90.46
J/mol×K
387.75
NIST
Cp,gas
104.89
J/mol×K
452.55
NIST
Cp,gas
116.69
J/mol×K
521.15
NIST
Cp,gas
121.75
J/mol×K
561.95
NIST
Cp,gas
128.66
J/mol×K
603.25
NIST
Cp,gas
140.62
J/mol×K
693.15
NIST
Cp,liquid
98.36
J/mol×K
230.0
NIST
Cp,liquid
98.28
J/mol×K
230.0
NIST
Cp,liquid
119.60
J/mol×K
300.0
NIST
η
0.00
Pa×s
268.04
Joback
Calculated Property
Δfus H
3.51
kJ/mol
85.5
NIST
Δfus H
3.52
kJ/mol
85.5
NIST
Δfus H
3.52
kJ/mol
85.5
NIST
Δsub H
28.50
kJ/mol
86.0
NIST
Δvap H
[18.77; 22.10]
kJ/mol
[134.50; 349.00]
Δvap H
22.10
kJ/mol
134.5
NIST
Δvap H
20.00
kJ/mol
198.5
NIST
Δvap H
19.50
kJ/mol
206.5
NIST
Δvap H
18.77
kJ/mol
231.04
NIST
Δvap H
19.04
kJ/mol
231.1
NIST
Δvap H
19.00
kJ/mol
256.0
NIST
Δvap H
18.77
kJ/mol
256.0
NIST
Δvap H
18.80
kJ/mol
305.0
NIST
Δvap H
18.90
kJ/mol
339.5
NIST
Δvap H
19.20
kJ/mol
349.0
NIST
Δvap S
81.26
J/mol×K
231.04
NIST
Molecular Descriptors
Joback and Reid Groups
-CH2-
1
-CH3
2
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