Physical Properties
Property
Value
Unit
Source
PAff
793.00
kJ/mol
NIST
PAff
796.00 ± 6.00
kJ/mol
NIST
BasG
762.60
kJ/mol
NIST
Δc H°liquid
-2006.90 ± 0.20
kJ/mol
NIST
Δc H°liquid
-2005.80 ± 0.40
kJ/mol
NIST
Δc H°liquid
-2005.10
kJ/mol
NIST
Δf G°
-164.88
kJ/mol
Joback
Calculated Property
Δf H°gas
[-272.80; -271.10]
kJ/mol
Δf H°gas
-272.80
kJ/mol
NIST
Δf H°gas
-271.10
kJ/mol
NIST
Δf H°gas
-272.30 ± 0.92
kJ/mol
NIST
Δf H°gas
-272.80
kJ/mol
NIST
Δf H°liquid
-317.00 ± 0.30
kJ/mol
NIST
Δf H°liquid
-318.20 ± 0.71
kJ/mol
NIST
Δf H°liquid
-318.70
kJ/mol
NIST
Δfus H°
4.09
kJ/mol
Joback
Calculated Property
Δvap H°
[40.00; 45.90]
kJ/mol
Δvap H°
45.48
kJ/mol
NIST
Δvap H°
44.00
kJ/mol
NIST
Δvap H°
45.34 ± 0.02
kJ/mol
NIST
Δvap H°
45.34 ± 0.02
kJ/mol
NIST
Δvap H°
45.20 ± 0.10
kJ/mol
NIST
Δvap H°
45.20 ± 0.10
kJ/mol
NIST
Δvap H°
45.51
kJ/mol
NIST
Δvap H°
44.00
kJ/mol
NIST
Δvap H°
45.90 ± 0.20
kJ/mol
NIST
Δvap H°
44.40
kJ/mol
NIST
Δvap H°
Outlier 40.00 ± 0.04
kJ/mol
NIST
IE
[10.10; 10.49]
eV
IE
10.17 ± 0.02
eV
NIST
IE
10.15 ± 0.07
eV
NIST
IE
10.10 ± 0.02
eV
NIST
IE
10.29 ± 0.02
eV
NIST
IE
10.18
eV
NIST
IE
10.12 ± 0.03
eV
NIST
IE
10.15 ± 0.05
eV
NIST
IE
10.44
eV
NIST
IE
10.49 ± 0.03
eV
NIST
IE
10.42
eV
NIST
IE
10.36
eV
NIST
IE
10.42
eV
NIST
log Poct/wat
0.387
Crippen
Calculated Property
Pc
[4716.00; 5380.00]
kPa
Pc
4760.00 ± 20.00
kPa
NIST
Pc
4770.00
kPa
NIST
Pc
4761.00 ± 20.00
kPa
NIST
Pc
4761.00 ± 20.00
kPa
NIST
Pc
4762.00
kPa
NIST
Pc
4716.00 ± 8.00
kPa
NIST
Pc
4762.00 ± 4.75
kPa
NIST
Pc
4764.00
kPa
NIST
Pc
5370.23 ± 101.32
kPa
NIST
Pc
Outlier 5380.00
kPa
NIST
S°liquid
[179.90; 192.90]
J/mol×K
S°liquid
180.58
J/mol×K
NIST
S°liquid
179.90
J/mol×K
NIST
S°liquid
192.90
J/mol×K
NIST
S°liquid
190.80
J/mol×K
NIST
Tboil
[3.50; 385.20]
K
Tboil
355.42 ± 0.20
K
NIST
Tboil
355.42 ± 0.30
K
NIST
Tboil
355.42 ± 0.07
K
NIST
Tboil
355.65 ± 0.20
K
NIST
Tboil
355.65 ± 0.30
K
NIST
Tboil
355.42 ± 0.20
K
NIST
Tboil
355.60
K
NIST
Tboil
385.20 ± 0.20
K
NIST
Tboil
355.60 ± 0.10
K
NIST
Tboil
355.40
K
NIST
Tboil
355.45 ± 0.40
K
NIST
Tboil
355.45 ± 0.40
K
NIST
Tboil
355.45 ± 0.30
K
NIST
Tboil
355.06 ± 0.25
K
NIST
Tboil
355.45 ± 0.10
K
NIST
Tboil
354.85 ± 0.30
K
NIST
Tboil
355.45 ± 0.30
K
NIST
Tboil
355.00 ± 0.30
K
NIST
Tboil
355.55 ± 0.30
K
NIST
Tboil
355.20 ± 0.60
K
NIST
Tboil
355.70 ± 0.30
K
NIST
Tboil
355.50 ± 0.40
K
NIST
Tboil
355.39 ± 0.30
K
NIST
Tboil
355.50 ± 0.50
K
NIST
Tboil
353.60 ± 0.50
K
NIST
Tboil
355.45 ± 0.25
K
NIST
Tboil
355.45
K
NIST
Tboil
353.60 ± 0.30
K
NIST
Tboil
355.45 ± 0.40
K
NIST
Tboil
355.45 ± 0.30
K
NIST
Tboil
355.45 ± 0.08
K
NIST
Tboil
355.55 ± 0.15
K
NIST
Tboil
355.54 ± 0.20
K
NIST
Tboil
355.37 ± 0.30
K
NIST
Tboil
355.16 ± 0.20
K
NIST
Tboil
355.48 ± 0.30
K
NIST
Tboil
355.35 ± 0.50
K
NIST
Tboil
355.45
K
NIST
Tboil
355.35 ± 0.50
K
NIST
Tboil
355.55 ± 0.30
K
NIST
Tboil
355.65 ± 1.00
K
NIST
Tboil
355.55 ± 0.50
K
NIST
Tboil
Outlier 3.50 ± 2.00
K
NIST
Tboil
354.70 ± 1.00
K
NIST
Tboil
355.55 ± 0.50
K
NIST
Tboil
355.45 ± 0.10
K
NIST
Tboil
355.55 ± 0.50
K
NIST
Tboil
355.60 ± 0.25
K
NIST
Tboil
355.30 ± 0.50
K
NIST
Tboil
355.25 ± 0.50
K
NIST
Tboil
355.15 ± 1.00
K
NIST
Tboil
355.48 ± 0.33
K
NIST
Tboil
355.35 ± 0.30
K
NIST
Tboil
354.65 ± 1.00
K
NIST
Tboil
357.65 ± 1.00
K
NIST
Tboil
355.48 ± 0.44
K
NIST
Tboil
355.45 ± 0.20
K
NIST
Tboil
353.90 ± 2.00
K
NIST
Tboil
355.40 ± 0.10
K
NIST
Tboil
355.55 ± 0.50
K
NIST
Tboil
364.85 ± 0.50
K
NIST
Tboil
355.65 ± 0.50
K
NIST
Tboil
355.15 ± 1.30
K
NIST
Tboil
355.55 ± 0.50
K
NIST
Tboil
355.65 ± 1.00
K
NIST
Tboil
355.85 ± 0.50
K
NIST
Tboil
355.35 ± 0.30
K
NIST
Tboil
355.45 ± 0.50
K
NIST
Tboil
355.60 ± 0.40
K
NIST
Tboil
355.39 ± 0.20
K
NIST
Tboil
355.57 ± 0.10
K
NIST
Tboil
355.55 ± 0.30
K
NIST
Tboil
355.25 ± 0.30
K
NIST
Tboil
354.87 ± 0.30
K
NIST
Tboil
355.55 ± 0.50
K
NIST
Tboil
355.90 ± 0.40
K
NIST
Tboil
355.15 ± 2.00
K
NIST
Tboil
355.51 ± 0.10
K
NIST
Tboil
355.45 ± 0.30
K
NIST
Tboil
354.95 ± 0.50
K
NIST
Tboil
354.55 ± 0.50
K
NIST
Tboil
355.45 ± 0.50
K
NIST
Tboil
355.54 ± 0.10
K
NIST
Tboil
355.44 ± 0.10
K
NIST
Tboil
355.55 ± 0.10
K
NIST
Tboil
355.46 ± 0.20
K
NIST
Tboil
355.50 ± 0.20
K
NIST
Tboil
355.55 ± 0.50
K
NIST
Tboil
355.45 ± 1.00
K
NIST
Tboil
355.95 ± 1.00
K
NIST
Tboil
355.60 ± 0.50
K
NIST
Tboil
355.60 ± 0.50
K
NIST
Tboil
355.60 ± 0.50
K
NIST
Tboil
355.15 ± 0.20
K
NIST
Tboil
355.60 ± 0.20
K
NIST
Tboil
Outlier 82.21 ± 0.20
K
NIST
Tboil
353.85 ± 0.50
K
NIST
Tboil
355.55 ± 0.30
K
NIST
Tboil
355.50 ± 0.30
K
NIST
Tboil
355.15 ± 0.20
K
NIST
Tboil
355.40 ± 0.05
K
NIST
Tboil
355.55 ± 0.50
K
NIST
Tboil
355.41 ± 0.05
K
NIST
Tboil
355.40 ± 0.05
K
NIST
Tboil
355.43 ± 0.05
K
NIST
Tboil
355.41 ± 0.05
K
NIST
Tboil
355.55 ± 0.20
K
NIST
Tboil
351.65 ± 3.00
K
NIST
Tboil
355.75 ± 0.30
K
NIST
Tboil
354.65 ± 1.50
K
NIST
Tboil
354.20 ± 0.50
K
NIST
Tboil
355.65 ± 1.00
K
NIST
Tboil
355.15 ± 1.50
K
NIST
Tboil
355.59 ± 0.20
K
NIST
Tboil
355.19 ± 0.20
K
NIST
Tboil
356.15 ± 1.00
K
NIST
Tboil
356.00 ± 0.50
K
NIST
Tboil
355.65 ± 1.50
K
NIST
Tboil
356.00 ± 0.50
K
NIST
Tc
[507.36; 516.60]
K
Tc
508.30 ± 0.30
K
NIST
Tc
508.60
K
NIST
Tc
508.00 ± 0.60
K
NIST
Tc
508.00 ± 0.60
K
NIST
Tc
508.00
K
NIST
Tc
507.36 ± 0.20
K
NIST
Tc
508.30
K
NIST
Tc
508.30 ± 0.05
K
NIST
Tc
508.30 ± 1.00
K
NIST
Tc
508.30 ± 0.20
K
NIST
Tc
508.30 ± 0.30
K
NIST
Tc
508.30 ± 0.30
K
NIST
Tc
508.26
K
NIST
Tc
511.50
K
NIST
Tc
508.15 ± 0.50
K
NIST
Tc
508.40 ± 0.30
K
NIST
Tc
508.80
K
NIST
Tc
Outlier 516.60
K
NIST
Tc
511.20 ± 3.00
K
NIST
Tc
507.80
K
NIST
Tfus
184.65
K
NIST
Tfus
185.75 ± 0.50
K
NIST
Tfus
185.35
K
NIST
Ttriple
[184.60; 185.26]
K
Ttriple
185.26 ± 0.05
K
NIST
Ttriple
185.25 ± 0.06
K
NIST
Ttriple
185.20 ± 0.05
K
NIST
Ttriple
184.67 ± 0.10
K
NIST
Ttriple
184.60 ± 0.30
K
NIST
Ttriple
184.60 ± 0.15
K
NIST
Vc
0.222
m3 /kg-mol
NIST
Vc
0.223 ± 0.003
m3 /kg-mol
NIST
Temperature Dependent Properties
Property
Value
Unit
Temperature (K)
Source
Cp,gas
[103.06; 148.10]
J/mol×K
[358.72; 597.25]
Cp,gas
103.06
J/mol×K
358.72
NIST
Cp,gas
105.70 ± 1.60
J/mol×K
365.75
NIST
Cp,gas
105.77
J/mol×K
371.15
NIST
Cp,gas
106.29
J/mol×K
373.15
NIST
Cp,gas
108.10 ± 1.60
J/mol×K
378.85
NIST
Cp,gas
109.20 ± 1.60
J/mol×K
384.95
NIST
Cp,gas
110.08
J/mol×K
391.15
NIST
Cp,gas
110.80 ± 1.60
J/mol×K
393.65
NIST
Cp,gas
111.65
J/mol×K
398.15
NIST
Cp,gas
113.00 ± 1.60
J/mol×K
405.35
NIST
Cp,gas
114.35
J/mol×K
411.15
NIST
Cp,gas
117.02
J/mol×K
423.15
NIST
Cp,gas
118.70
J/mol×K
431.15
NIST
Cp,gas
122.10
J/mol×K
448.15
NIST
Cp,gas
122.80
J/mol×K
451.15
NIST
Cp,gas
121.70 ± 1.60
J/mol×K
453.15
NIST
Cp,gas
124.20 ± 1.60
J/mol×K
466.75
NIST
Cp,gas
127.01
J/mol×K
473.15
NIST
Cp,gas
126.70 ± 1.60
J/mol×K
480.55
NIST
Cp,gas
130.30 ± 1.60
J/mol×K
499.75
NIST
Cp,gas
132.90 ± 1.60
J/mol×K
513.95
NIST
Cp,gas
137.50 ± 1.60
J/mol×K
539.05
NIST
Cp,gas
142.60 ± 1.60
J/mol×K
567.05
NIST
Cp,gas
148.10 ± 1.60
J/mol×K
597.25
NIST
Cp,liquid
[149.75; 180.30]
J/mol×K
[292.84; 324.00]
Cp,liquid
149.75
J/mol×K
292.84
NIST
Cp,liquid
151.00
J/mol×K
293.1
NIST
Cp,liquid
152.30
J/mol×K
293.1
NIST
Cp,liquid
154.00
J/mol×K
298.0
NIST
Cp,liquid
163.60
J/mol×K
298.0
NIST
Cp,liquid
159.99
J/mol×K
298.04
NIST
Cp,liquid
180.30
J/mol×K
298.1
NIST
Cp,liquid
161.20
J/mol×K
298.15
NIST
Cp,liquid
154.75
J/mol×K
298.15
NIST
Cp,liquid
154.43
J/mol×K
298.15
NIST
Cp,liquid
162.80
J/mol×K
298.2
NIST
Cp,liquid
169.90
J/mol×K
303.0
NIST
Cp,liquid
172.40
J/mol×K
303.2
NIST
Cp,liquid
165.60
J/mol×K
311.6
NIST
Cp,liquid
180.30
J/mol×K
324.0
NIST
η
0.0003775
Pa×s
359.78
Joback
Calculated Property
Δfus H
5.37
kJ/mol
184.7
NIST
Δfus H
5.41
kJ/mol
185.2
NIST
Δvap H
[10.50; 50.30]
kJ/mol
[211.50; 503.00]
Δvap H
50.30
kJ/mol
211.5
NIST
Δvap H
45.50
kJ/mol
318.0
NIST
Δvap H
45.70
kJ/mol
323.5
NIST
Δvap H
43.20
kJ/mol
324.0
NIST
Δvap H
43.40 ± 0.08
kJ/mol
324.11
NIST
Δvap H
44.80
kJ/mol
327.5
NIST
Δvap H
42.70 ± 0.10
kJ/mol
330.0
NIST
Δvap H
43.20
kJ/mol
338.5
NIST
Δvap H
41.70
kJ/mol
339.0
NIST
Δvap H
43.10
kJ/mol
343.5
NIST
Δvap H
41.00 ± 0.10
kJ/mol
346.0
NIST
Δvap H
42.80
kJ/mol
346.0
NIST
Δvap H
39.80
kJ/mol
355.0
NIST
Δvap H
39.80 ± 0.10
kJ/mol
355.0
NIST
Δvap H
39.80
kJ/mol
355.0
NIST
Δvap H
39.85
kJ/mol
355.4
NIST
Δvap H
42.00
kJ/mol
357.5
NIST
Δvap H
38.90 ± 0.10
kJ/mol
363.0
NIST
Δvap H
41.30
kJ/mol
366.5
NIST
Δvap H
41.10
kJ/mol
387.0
NIST
Δvap H
39.20
kJ/mol
420.0
NIST
Δvap H
29.70
kJ/mol
423.0
NIST
Δvap H
39.10
kJ/mol
451.5
NIST
Δvap H
23.70
kJ/mol
453.0
NIST
Δvap H
35.30
kJ/mol
480.5
NIST
Δvap H
16.50
kJ/mol
483.0
NIST
Δvap H
10.50
kJ/mol
503.0
NIST
Δfus S
[28.70; 29.21]
J/mol×K
[184.60; 185.20]
Δfus S
28.72
J/mol×K
184.6
NIST
Δfus S
28.70
J/mol×K
184.6
NIST
Δfus S
29.09
J/mol×K
184.67
NIST
Δfus S
29.21
J/mol×K
185.2
NIST
Molecular Descriptors
Joback and Reid Groups
>CH-
1
-OH (alcohol)
1
-CH3
2
Similar Compounds
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that the value is more than 2 standard deviations away from the
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