Physical Properties
Property
Value
Unit
Source
PAff
786.50
kJ/mol
NIST
BasG
756.10
kJ/mol
NIST
Δc H°liquid
[-2032.59; -2017.70]
kJ/mol
Δc H°liquid
-2021.31 ± 0.25
kJ/mol
NIST
Δc H°liquid
-2019.40 ± 0.30
kJ/mol
NIST
Δc H°liquid
-2021.40 ± 0.75
kJ/mol
NIST
Δc H°liquid
-2017.70 ± 1.00
kJ/mol
NIST
Δc H°liquid
-2032.59
kJ/mol
NIST
Δf G°
-162.44
kJ/mol
Joback
Calculated Property
Δf H°gas
[-258.80; -254.70]
kJ/mol
Δf H°gas
-255.10
kJ/mol
NIST
Δf H°gas
-255.20 ± 0.30
kJ/mol
NIST
Δf H°gas
-255.60 ± 1.30
kJ/mol
NIST
Δf H°gas
-257.20
kJ/mol
NIST
Δf H°gas
-257.30 ± 0.40
kJ/mol
NIST
Δf H°gas
-254.70 ± 4.40
kJ/mol
NIST
Δf H°gas
-258.80 ± 1.10
kJ/mol
NIST
Δf H°liquid
[-306.30; -302.50]
kJ/mol
Δf H°liquid
-302.54 ± 0.25
kJ/mol
NIST
Δf H°liquid
-303.00 ± 1.30
kJ/mol
NIST
Δf H°liquid
-304.60 ± 0.40
kJ/mol
NIST
Δf H°liquid
-302.50 ± 4.20
kJ/mol
NIST
Δf H°liquid
-306.30 ± 1.00
kJ/mol
NIST
Δfus H°
7.61
kJ/mol
Joback
Calculated Property
Δvap H°
[45.70; 49.20]
kJ/mol
Δvap H°
47.50
kJ/mol
NIST
Δvap H°
46.30
kJ/mol
NIST
Δvap H°
47.80
kJ/mol
NIST
Δvap H°
Outlier 45.70
kJ/mol
NIST
Δvap H°
Outlier 49.20
kJ/mol
NIST
Δvap H°
47.41 ± 0.08
kJ/mol
NIST
Δvap H°
47.40
kJ/mol
NIST
Δvap H°
47.49 ± 0.02
kJ/mol
NIST
Δvap H°
47.49 ± 0.02
kJ/mol
NIST
Δvap H°
47.30 ± 0.10
kJ/mol
NIST
Δvap H°
47.32 ± 0.08
kJ/mol
NIST
Δvap H°
46.60
kJ/mol
NIST
Δvap H°
47.90 ± 0.20
kJ/mol
NIST
Δvap H°
47.80
kJ/mol
NIST
Δvap H°
47.50
kJ/mol
NIST
IE
[10.00; 10.52]
eV
IE
10.22 ± 0.06
eV
NIST
IE
10.22 ± 0.07
eV
NIST
IE
10.00
eV
NIST
IE
10.15 ± 0.03
eV
NIST
IE
10.16 ± 0.03
eV
NIST
IE
10.32 ± 0.02
eV
NIST
IE
10.25
eV
NIST
IE
10.22 ± 0.04
eV
NIST
IE
10.20
eV
NIST
IE
10.51
eV
NIST
IE
10.52 ± 0.03
eV
NIST
IE
10.51
eV
NIST
IE
10.49
eV
NIST
IE
10.48
eV
NIST
log Poct/wat
0.389
Crippen
Calculated Property
Pc
[5082.00; 5397.00]
kPa
Pc
5170.00 ± 20.00
kPa
NIST
Pc
5170.00
kPa
NIST
Pc
5168.00 ± 20.00
kPa
NIST
Pc
5168.00 ± 20.00
kPa
NIST
Pc
5170.00
kPa
NIST
Pc
5182.00 ± 10.00
kPa
NIST
Pc
5155.00
kPa
NIST
Pc
5170.00
kPa
NIST
Pc
5082.00
kPa
NIST
Pc
5218.00
kPa
NIST
Pc
5082.00
kPa
NIST
Pc
Outlier 5397.00
kPa
NIST
S°gas
322.49
J/mol×K
NIST
S°liquid
192.80
J/mol×K
NIST
S°liquid
214.20
J/mol×K
NIST
S°solid,1 bar
112.70
J/mol×K
NIST
Tboil
[355.30; 371.25]
K
Tboil
370.30 ± 0.20
K
NIST
Tboil
370.26 ± 0.20
K
NIST
Tboil
370.26 ± 0.20
K
NIST
Tboil
370.20 ± 0.40
K
NIST
Tboil
370.26 ± 0.20
K
NIST
Tboil
370.26 ± 0.20
K
NIST
Tboil
370.28 ± 0.08
K
NIST
Tboil
370.30 ± 0.20
K
NIST
Tboil
370.40 ± 0.20
K
NIST
Tboil
370.30 ± 0.30
K
NIST
Tboil
370.10 ± 0.25
K
NIST
Tboil
370.60
K
NIST
Tboil
370.50 ± 0.20
K
NIST
Tboil
370.30
K
NIST
Tboil
370.40 ± 0.40
K
NIST
Tboil
370.40 ± 0.30
K
NIST
Tboil
370.40 ± 0.30
K
NIST
Tboil
370.15 ± 0.50
K
NIST
Tboil
370.60 ± 0.30
K
NIST
Tboil
370.30 ± 0.50
K
NIST
Tboil
370.32 ± 0.06
K
NIST
Tboil
370.30 ± 0.50
K
NIST
Tboil
370.40 ± 0.30
K
NIST
Tboil
370.29 ± 0.30
K
NIST
Tboil
370.30 ± 0.50
K
NIST
Tboil
370.30 ± 0.50
K
NIST
Tboil
370.35 ± 0.20
K
NIST
Tboil
370.23 ± 0.12
K
NIST
Tboil
370.50 ± 0.30
K
NIST
Tboil
370.35 ± 0.30
K
NIST
Tboil
370.35
K
NIST
Tboil
370.35 ± 0.30
K
NIST
Tboil
370.25 ± 0.20
K
NIST
Tboil
370.44 ± 0.15
K
NIST
Tboil
370.30 ± 0.05
K
NIST
Tboil
370.40 ± 0.20
K
NIST
Tboil
370.23 ± 0.20
K
NIST
Tboil
370.00 ± 1.50
K
NIST
Tboil
370.00 ± 1.00
K
NIST
Tboil
370.35 ± 0.30
K
NIST
Tboil
370.38 ± 0.10
K
NIST
Tboil
370.60 ± 0.30
K
NIST
Tboil
370.34 ± 0.30
K
NIST
Tboil
370.40 ± 0.30
K
NIST
Tboil
370.70 ± 1.00
K
NIST
Tboil
366.70 ± 3.00
K
NIST
Tboil
370.60 ± 0.30
K
NIST
Tboil
370.00 ± 1.00
K
NIST
Tboil
370.40 ± 0.50
K
NIST
Tboil
370.00 ± 0.50
K
NIST
Tboil
370.59 ± 0.33
K
NIST
Tboil
370.40 ± 0.20
K
NIST
Tboil
370.20 ± 0.30
K
NIST
Tboil
370.30 ± 0.20
K
NIST
Tboil
368.70 ± 1.00
K
NIST
Tboil
370.40 ± 0.30
K
NIST
Tboil
368.60 ± 1.00
K
NIST
Tboil
370.00 ± 1.00
K
NIST
Tboil
370.40 ± 0.50
K
NIST
Tboil
370.60 ± 0.50
K
NIST
Tboil
370.34 ± 0.20
K
NIST
Tboil
367.60 ± 1.00
K
NIST
Tboil
370.00 ± 1.00
K
NIST
Tboil
369.60 ± 0.50
K
NIST
Tboil
Outlier 355.40 ± 0.30
K
NIST
Tboil
370.10 ± 0.50
K
NIST
Tboil
370.40 ± 0.50
K
NIST
Tboil
370.40 ± 0.40
K
NIST
Tboil
370.40 ± 0.30
K
NIST
Tboil
370.40 ± 0.30
K
NIST
Tboil
371.20 ± 0.50
K
NIST
Tboil
370.70 ± 0.60
K
NIST
Tboil
370.40 ± 0.50
K
NIST
Tboil
370.50 ± 0.50
K
NIST
Tboil
Outlier 355.30 ± 0.50
K
NIST
Tboil
369.60 ± 1.00
K
NIST
Tboil
369.80 ± 0.40
K
NIST
Tboil
371.00 ± 0.30
K
NIST
Tboil
370.30 ± 0.20
K
NIST
Tboil
369.60 ± 1.00
K
NIST
Tboil
370.35 ± 0.03
K
NIST
Tboil
370.95 ± 0.10
K
NIST
Tboil
370.30 ± 0.30
K
NIST
Tboil
370.30 ± 0.05
K
NIST
Tboil
370.40 ± 0.10
K
NIST
Tboil
370.34 ± 0.07
K
NIST
Tboil
370.40 ± 0.50
K
NIST
Tboil
370.60 ± 0.50
K
NIST
Tboil
370.50 ± 0.50
K
NIST
Tboil
370.40 ± 0.30
K
NIST
Tboil
370.50 ± 0.50
K
NIST
Tboil
370.70 ± 0.50
K
NIST
Tboil
370.40 ± 0.50
K
NIST
Tboil
370.40 ± 0.50
K
NIST
Tboil
370.40 ± 0.50
K
NIST
Tboil
370.70 ± 1.00
K
NIST
Tboil
370.31 ± 0.30
K
NIST
Tboil
370.40 ± 0.50
K
NIST
Tboil
370.70 ± 1.00
K
NIST
Tboil
370.40 ± 0.30
K
NIST
Tboil
371.00 ± 0.30
K
NIST
Tboil
370.50 ± 0.50
K
NIST
Tboil
370.20 ± 0.50
K
NIST
Tboil
370.34 ± 0.10
K
NIST
Tboil
370.60 ± 0.50
K
NIST
Tboil
370.90 ± 0.20
K
NIST
Tboil
370.13 ± 0.20
K
NIST
Tboil
370.30 ± 0.20
K
NIST
Tboil
371.25 ± 0.20
K
NIST
Tboil
370.34 ± 0.05
K
NIST
Tboil
370.33 ± 0.05
K
NIST
Tboil
370.35 ± 0.05
K
NIST
Tboil
370.40 ± 0.50
K
NIST
Tboil
370.20 ± 0.50
K
NIST
Tboil
369.80 ± 0.30
K
NIST
Tboil
369.90 ± 0.50
K
NIST
Tboil
370.40 ± 0.30
K
NIST
Tboil
370.37 ± 0.10
K
NIST
Tboil
369.60 ± 1.00
K
NIST
Tboil
370.30 ± 0.50
K
NIST
Tboil
370.60 ± 0.30
K
NIST
Tboil
370.41 ± 0.20
K
NIST
Tboil
370.40 ± 0.30
K
NIST
Tboil
370.40 ± 0.30
K
NIST
Tboil
370.50 ± 0.50
K
NIST
Tboil
370.00 ± 1.00
K
NIST
Tboil
368.70 ± 0.50
K
NIST
Tboil
370.34 ± 0.20
K
NIST
Tboil
369.80 ± 0.50
K
NIST
Tboil
370.40 ± 0.50
K
NIST
Tboil
370.40 ± 0.10
K
NIST
Tboil
369.20 ± 0.10
K
NIST
Tboil
369.30 ± 0.50
K
NIST
Tboil
369.90 ± 2.00
K
NIST
Tboil
369.75 ± 0.50
K
NIST
Tboil
371.00 ± 1.00
K
NIST
Tboil
371.00 ± 0.50
K
NIST
Tboil
370.60 ± 0.50
K
NIST
Tboil
370.56 ± 0.30
K
NIST
Tboil
Outlier 363.00 ± 4.00
K
NIST
Tc
[527.40; 543.70]
K
Tc
536.80 ± 0.30
K
NIST
Tc
537.50
K
NIST
Tc
536.70 ± 0.60
K
NIST
Tc
536.70 ± 0.60
K
NIST
Tc
536.70
K
NIST
Tc
536.70
K
NIST
Tc
537.32 ± 0.10
K
NIST
Tc
536.50 ± 0.30
K
NIST
Tc
536.50 ± 0.30
K
NIST
Tc
536.50 ± 0.30
K
NIST
Tc
537.00
K
NIST
Tc
536.98
K
NIST
Tc
536.74
K
NIST
Tc
536.20
K
NIST
Tc
536.20
K
NIST
Tc
537.30
K
NIST
Tc
536.90
K
NIST
Tc
538.00 ± 2.00
K
NIST
Tc
537.20
K
NIST
Tc
Outlier 543.70
K
NIST
Tc
539.00
K
NIST
Tc
536.90
K
NIST
Tc
534.20 ± 3.00
K
NIST
Tc
Outlier 527.40
K
NIST
Tc
531.20
K
NIST
Tfus
146.95
K
NIST
Tfus
146.70 ± 0.50
K
NIST
Tfus
147.00 ± 3.00
K
NIST
Ttriple
148.75 ± 0.02
K
NIST
Ttriple
148.75 ± 0.02
K
NIST
Ttriple
147.00 ± 0.30
K
NIST
Vc
0.218
m3 /kg-mol
NIST
Vc
0.216 ± 0.001
m3 /kg-mol
NIST
Temperature Dependent Properties
Property
Value
Unit
Temperature (K)
Source
Cp,gas
[102.26; 148.95]
J/mol×K
[371.20; 603.25]
Cp,gas
102.26 ± 0.20
J/mol×K
371.2
NIST
Cp,gas
107.28 ± 0.96
J/mol×K
375.45
NIST
Cp,gas
108.67 ± 0.96
J/mol×K
383.05
NIST
Cp,gas
109.42 ± 0.96
J/mol×K
387.15
NIST
Cp,gas
106.44 ± 0.21
J/mol×K
391.2
NIST
Cp,gas
111.21 ± 0.96
J/mol×K
396.95
NIST
Cp,gas
113.59 ± 0.96
J/mol×K
409.95
NIST
Cp,gas
110.42 ± 0.22
J/mol×K
411.2
NIST
Cp,gas
115.56 ± 0.96
J/mol×K
420.75
NIST
Cp,gas
115.97 ± 0.96
J/mol×K
422.95
NIST
Cp,gas
114.35 ± 0.23
J/mol×K
431.2
NIST
Cp,gas
118.71 ± 0.96
J/mol×K
437.95
NIST
Cp,gas
118.62 ± 0.24
J/mol×K
451.2
NIST
Cp,gas
122.94 ± 0.96
J/mol×K
461.05
NIST
Cp,gas
125.55 ± 0.96
J/mol×K
475.35
NIST
Cp,gas
130.97 ± 0.96
J/mol×K
504.95
NIST
Cp,gas
132.23 ± 0.96
J/mol×K
511.85
NIST
Cp,gas
135.98 ± 0.96
J/mol×K
532.35
NIST
Cp,gas
141.05 ± 0.96
J/mol×K
560.05
NIST
Cp,gas
144.49 ± 0.96
J/mol×K
578.85
NIST
Cp,gas
148.95 ± 0.96
J/mol×K
603.25
NIST
Cp,liquid
[131.30; 192.90]
J/mol×K
[270.00; 320.00]
Cp,liquid
136.00
J/mol×K
270.0
NIST
Cp,liquid
131.30
J/mol×K
274.6
NIST
Cp,liquid
133.50
J/mol×K
275.0
NIST
Cp,liquid
133.50
J/mol×K
275.4
NIST
Cp,liquid
138.40
J/mol×K
288.15
NIST
Cp,liquid
141.80
J/mol×K
293.15
NIST
Cp,liquid
144.60
J/mol×K
298.0
NIST
Cp,liquid
146.10
J/mol×K
298.0
NIST
Cp,liquid
144.80
J/mol×K
298.0
NIST
Cp,liquid
145.60
J/mol×K
298.1
NIST
Cp,liquid
192.90
J/mol×K
298.1
NIST
Cp,liquid
143.96
J/mol×K
298.15
NIST
Cp,liquid
144.44
J/mol×K
298.15
NIST
Cp,liquid
146.88
J/mol×K
298.15
NIST
Cp,liquid
143.77
J/mol×K
298.15
NIST
Cp,liquid
149.00
J/mol×K
298.15
NIST
Cp,liquid
143.78
J/mol×K
298.15
NIST
Cp,liquid
143.87
J/mol×K
298.15
NIST
Cp,liquid
144.06
J/mol×K
298.15
NIST
Cp,liquid
143.80
J/mol×K
298.15
NIST
Cp,liquid
146.34
J/mol×K
298.216
NIST
Cp,liquid
164.80
J/mol×K
301.2
NIST
Cp,liquid
140.21
J/mol×K
303.0
NIST
Cp,liquid
147.90
J/mol×K
303.4
NIST
Cp,liquid
158.60
J/mol×K
313.2
NIST
Cp,liquid
155.60
J/mol×K
320.0
NIST
Cp,solid
106.30
J/mol×K
150.0
NIST
η
0.0003855
Pa×s
360.22
Joback
Calculated Property
Δfus H
[5.19; 5.40]
kJ/mol
[147.00; 148.80]
Δfus H
5.19
kJ/mol
147.0
NIST
Δfus H
5.40
kJ/mol
148.7
NIST
Δfus H
5.37
kJ/mol
148.75
NIST
Δfus H
5.37
kJ/mol
148.8
NIST
Δfus H
5.37
kJ/mol
148.8
NIST
Δvap H
[11.40; 49.30]
kJ/mol
[214.00; 528.00]
Δvap H
48.00
kJ/mol
214.0
NIST
Δvap H
46.40 ± 0.10
kJ/mol
313.0
NIST
Δvap H
46.70
kJ/mol
318.0
NIST
Δvap H
45.70 ± 0.10
kJ/mol
323.0
NIST
Δvap H
49.30
kJ/mol
324.0
NIST
Δvap H
46.90
kJ/mol
331.0
NIST
Δvap H
44.90 ± 0.10
kJ/mol
333.0
NIST
Δvap H
44.99 ± 0.42
kJ/mol
333.13
NIST
Δvap H
47.00
kJ/mol
336.5
NIST
Δvap H
44.00 ± 0.10
kJ/mol
343.0
NIST
Δvap H
43.90 ± 0.10
kJ/mol
343.0
NIST
Δvap H
45.50
kJ/mol
344.0
NIST
Δvap H
43.20 ± 0.10
kJ/mol
353.0
NIST
Δvap H
43.20
kJ/mol
354.0
NIST
Δvap H
44.70
kJ/mol
355.0
NIST
Δvap H
44.30
kJ/mol
358.0
NIST
Δvap H
42.30 ± 0.10
kJ/mol
360.0
NIST
Δvap H
42.40 ± 0.10
kJ/mol
363.0
NIST
Δvap H
44.10
kJ/mol
364.0
NIST
Δvap H
43.50
kJ/mol
366.0
NIST
Δvap H
42.90
kJ/mol
368.5
NIST
Δvap H
41.20 ± 0.10
kJ/mol
370.0
NIST
Δvap H
41.44
kJ/mol
370.3
NIST
Δvap H
41.20
kJ/mol
371.0
NIST
Δvap H
40.30 ± 0.10
kJ/mol
378.0
NIST
Δvap H
39.70 ± 0.10
kJ/mol
384.0
NIST
Δvap H
42.30
kJ/mol
388.0
NIST
Δvap H
35.20
kJ/mol
423.0
NIST
Δvap H
40.10
kJ/mol
441.5
NIST
Δvap H
29.40
kJ/mol
453.0
NIST
Δvap H
40.70
kJ/mol
471.0
NIST
Δvap H
36.50
kJ/mol
492.5
NIST
Δvap H
21.00
kJ/mol
498.0
NIST
Δvap H
11.40
kJ/mol
528.0
NIST
Δfus S
35.30
J/mol×K
147.0
NIST
Δfus S
36.11
J/mol×K
148.75
NIST
Molecular Descriptors
Joback and Reid Groups
-OH (alcohol)
1
-CH3
1
-CH2-
2
Similar Compounds
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that the value is more than 2 standard deviations away from the
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