Physical Properties
Property
Value
Unit
Source
PAff
799.00
kJ/mol
NIST
Δc H°liquid
[-5295.50; -5285.60]
kJ/mol
Δc H°liquid
-5294.00 ± 0.60
kJ/mol
NIST
Δc H°liquid
-5295.50 ± 1.00
kJ/mol
NIST
Δc H°liquid
-5285.70 ± 2.70
kJ/mol
NIST
Δc H°liquid
-5285.60
kJ/mol
NIST
Δf G°
-120.34
kJ/mol
Joback
Calculated Property
Δf H°gas
[-362.20; -354.10]
kJ/mol
Δf H°gas
-355.50
kJ/mol
NIST
Δf H°gas
-355.60 ± 0.70
kJ/mol
NIST
Δf H°gas
-356.90 ± 1.30
kJ/mol
NIST
Δf H°gas
-354.10
kJ/mol
NIST
Δf H°gas
-354.20 ± 1.20
kJ/mol
NIST
Δf H°gas
Outlier -362.20 ± 3.10
kJ/mol
NIST
Δf H°liquid
[-435.00; -425.20]
kJ/mol
Δf H°liquid
-426.60 ± 0.60
kJ/mol
NIST
Δf H°liquid
-428.00 ± 1.10
kJ/mol
NIST
Δf H°liquid
-425.20 ± 1.10
kJ/mol
NIST
Δf H°liquid
-435.00 ± 2.70
kJ/mol
NIST
Δfus H°
20.56
kJ/mol
Joback
Calculated Property
Δsub H°
100.40
kJ/mol
NIST
Δvap H°
[69.30; 72.80]
kJ/mol
Δvap H°
70.98
kJ/mol
NIST
Δvap H°
69.30
kJ/mol
NIST
Δvap H°
70.10
kJ/mol
NIST
Δvap H°
71.60
kJ/mol
NIST
Δvap H°
70.98 ± 0.42
kJ/mol
NIST
Δvap H°
71.00 ± 0.40
kJ/mol
NIST
Δvap H°
71.10 ± 0.40
kJ/mol
NIST
Δvap H°
71.10
kJ/mol
NIST
Δvap H°
72.80 ± 1.70
kJ/mol
NIST
Δvap H°
72.80
kJ/mol
NIST
log Poct/wat
2.34
Crippen
Calculated Property
Pc
[1777.00; 2860.00]
kPa
Pc
2780.00 ± 30.00
kPa
NIST
Pc
2850.00 ± 50.00
kPa
NIST
Pc
Outlier 1777.00 ± 20.00
kPa
NIST
Pc
2777.00 ± 20.00
kPa
NIST
Pc
2860.00
kPa
NIST
Pc
2860.00
kPa
NIST
Tboil
[371.20; 469.20]
K
Tboil
Outlier 371.20
K
NIST
Tboil
467.85 ± 0.60
K
NIST
Tboil
469.20
K
NIST
Tboil
467.60
K
NIST
Tboil
468.35 ± 0.50
K
NIST
Tboil
468.15 ± 1.00
K
NIST
Tboil
468.00 ± 2.00
K
NIST
Tboil
468.15 ± 1.00
K
NIST
Tboil
468.15 ± 1.00
K
NIST
Tboil
467.35 ± 1.00
K
NIST
Tboil
468.15 ± 0.50
K
NIST
Tboil
468.15 ± 2.00
K
NIST
Tboil
466.35 ± 1.00
K
NIST
Tboil
467.65 ± 1.00
K
NIST
Tboil
467.75 ± 1.00
K
NIST
Tboil
468.15 ± 2.00
K
NIST
Tboil
468.43 ± 0.20
K
NIST
Tboil
469.15 ± 2.00
K
NIST
Tboil
467.65 ± 1.00
K
NIST
Tboil
468.35 ± 0.25
K
NIST
Tboil
468.15 ± 3.90
K
NIST
Tboil
467.65 ± 2.00
K
NIST
Tboil
468.15 ± 2.00
K
NIST
Tboil
467.65 ± 0.40
K
NIST
Tboil
467.85 ± 0.50
K
NIST
Tboil
467.60 ± 0.50
K
NIST
Tboil
469.15 ± 3.00
K
NIST
Tboil
468.30 ± 0.30
K
NIST
Tboil
468.30 ± 0.50
K
NIST
Tboil
468.30 ± 0.50
K
NIST
Tboil
468.30 ± 1.00
K
NIST
Tboil
467.20 ± 0.40
K
NIST
Tboil
468.15 ± 2.00
K
NIST
Tboil
452.65 ± 3.00
K
NIST
Tboil
468.65 ± 1.00
K
NIST
Tboil
469.05 ± 1.00
K
NIST
Tboil
467.30 ± 2.00
K
NIST
Tboil
451.65 ± 1.50
K
NIST
Tboil
468.40 ± 3.00
K
NIST
Tboil
468.65 ± 3.00
K
NIST
Tboil
468.65 ± 1.00
K
NIST
Tboil
464.15 ± 3.00
K
NIST
Tc
[650.56; 668.00]
K
Tc
652.50 ± 0.50
K
NIST
Tc
652.20 ± 0.80
K
NIST
Tc
652.40 ± 0.60
K
NIST
Tc
652.40 ± 0.60
K
NIST
Tc
652.60
K
NIST
Tc
650.56 ± 0.30
K
NIST
Tc
652.50
K
NIST
Tc
Outlier 668.00 ± 2.00
K
NIST
Tc
657.80
K
NIST
Tc
658.60
K
NIST
Tfus
[256.20; 258.35]
K
Tfus
258.35 ± 0.05
K
NIST
Tfus
258.03 ± 0.08
K
NIST
Tfus
256.20 ± 0.50
K
NIST
Tfus
256.25 ± 0.40
K
NIST
Tfus
256.40 ± 0.50
K
NIST
Tfus
256.90 ± 0.40
K
NIST
Vc
0.50
m3 /kg-mol
NIST
Temperature Dependent Properties
Property
Value
Unit
Temperature (K)
Source
Cp,gas
290.08
J/mol×K
474.62
Joback
Calculated Property
Cp,liquid
[284.50; 329.50]
J/mol×K
[286.00; 310.67]
Cp,liquid
284.50
J/mol×K
286.0
NIST
Cp,liquid
312.10
J/mol×K
298.0
NIST
Cp,liquid
324.30
J/mol×K
298.0
NIST
Cp,liquid
304.00
J/mol×K
298.15
NIST
Cp,liquid
305.55
J/mol×K
298.15
NIST
Cp,liquid
329.50
J/mol×K
303.2
NIST
Cp,liquid
318.30
J/mol×K
310.67
NIST
η
0.00
Pa×s
474.62
Joback
Calculated Property
Δfus H
25.24
kJ/mol
258.4
NIST
Δvap H
[47.80; 70.40]
kJ/mol
[267.00; 515.00]
Δvap H
64.00 ± 1.00
kJ/mol
267.0
NIST
Δvap H
64.00
kJ/mol
274.5
NIST
Δvap H
69.60
kJ/mol
301.5
NIST
Δvap H
68.70
kJ/mol
318.0
NIST
Δvap H
70.40
kJ/mol
323.0
NIST
Δvap H
67.30
kJ/mol
364.0
NIST
Δvap H
61.60
kJ/mol
396.0
NIST
Δvap H
67.50
kJ/mol
405.5
NIST
Δvap H
65.00
kJ/mol
410.0
NIST
Δvap H
56.60
kJ/mol
438.0
NIST
Δvap H
52.50
kJ/mol
452.0
NIST
Δvap H
47.80
kJ/mol
515.0
NIST
Molecular Descriptors
Joback and Reid Groups
-OH (alcohol)
1
-CH3
1
-CH2-
7
Similar Compounds
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