Physical Properties
Property
Value
Unit
Source
Δc H°liquid
[-5471.80; -5270.40]
kJ/mol
Δc H°liquid
-5470.30 ± 1.60
kJ/mol
NIST
Δc H°liquid
-5470.71 ± 0.67
kJ/mol
NIST
Δc H°liquid
-5466.60
kJ/mol
NIST
Δc H°liquid
-5471.80 ± 5.40
kJ/mol
NIST
Δc H°liquid
-5441.30
kJ/mol
NIST
Δc H°liquid
Outlier -5270.40
kJ/mol
NIST
Δf G°
16.48
kJ/mol
Joback
Calculated Property
Δf H°gas
-208.70
kJ/mol
NIST
Δf H°gas
-208.40 ± 0.67
kJ/mol
NIST
Δf H°liquid
-250.30 ± 1.80
kJ/mol
NIST
Δf H°liquid
-250.00 ± 0.84
kJ/mol
NIST
Δfus H°
16.48
kJ/mol
Joback
Calculated Property
Δvap H°
[34.00; 41.60]
kJ/mol
Δvap H°
41.53
kJ/mol
NIST
Δvap H°
41.60
kJ/mol
NIST
Δvap H°
41.50 ± 0.10
kJ/mol
NIST
Δvap H°
41.50 ± 0.10
kJ/mol
NIST
Δvap H°
41.50
kJ/mol
NIST
Δvap H°
41.60 ± 0.08
kJ/mol
NIST
Δvap H°
41.60 ± 0.08
kJ/mol
NIST
Δvap H°
41.50 ± 0.10
kJ/mol
NIST
Δvap H°
41.48
kJ/mol
NIST
Δvap H°
Outlier 34.00
kJ/mol
NIST
IE
[9.71; 10.25]
eV
IE
9.80 ± 0.15
eV
NIST
IE
10.01
eV
NIST
IE
9.80 ± 0.10
eV
NIST
IE
9.71 ± 0.15
eV
NIST
IE
9.79
eV
NIST
IE
10.25
eV
NIST
log Poct/wat
3.367
Crippen
Calculated Property
Pc
[2470.00; 2497.12]
kPa
Pc
2490.00 ± 30.00
kPa
NIST
Pc
2495.00 ± 20.00
kPa
NIST
Pc
2487.00
kPa
NIST
Pc
2480.00 ± 5.00
kPa
NIST
Pc
2490.00 ± 30.00
kPa
NIST
Pc
2486.93 ± 17.23
kPa
NIST
Pc
2486.20 ± 40.53
kPa
NIST
Pc
2488.00 ± 40.53
kPa
NIST
Pc
2492.59 ± 50.66
kPa
NIST
Pc
2497.10 ± 20.00
kPa
NIST
Pc
2497.12 ± 19.99
kPa
NIST
Pc
Outlier 2470.00 ± 98.07
kPa
NIST
S°gas
467.06 ± 0.92
J/mol×K
NIST
S°liquid
361.20
J/mol×K
NIST
S°liquid
359.80
J/mol×K
NIST
S°liquid
359.80
J/mol×K
NIST
Tboil
[393.15; 401.65]
K
Tboil
398.80 ± 0.20
K
NIST
Tboil
398.80 ± 0.20
K
NIST
Tboil
398.90
K
NIST
Tboil
398.73 ± 0.10
K
NIST
Tboil
398.80
K
NIST
Tboil
398.76 ± 0.20
K
NIST
Tboil
398.96 ± 0.20
K
NIST
Tboil
398.96 ± 0.50
K
NIST
Tboil
398.93 ± 0.08
K
NIST
Tboil
398.70 ± 0.50
K
NIST
Tboil
398.75 ± 0.15
K
NIST
Tboil
398.55 ± 0.20
K
NIST
Tboil
398.12 ± 0.20
K
NIST
Tboil
398.77 ± 0.10
K
NIST
Tboil
398.95 ± 0.40
K
NIST
Tboil
398.76 ± 0.20
K
NIST
Tboil
398.75 ± 0.50
K
NIST
Tboil
398.55 ± 0.30
K
NIST
Tboil
398.77 ± 0.15
K
NIST
Tboil
398.27 ± 0.30
K
NIST
Tboil
399.00 ± 0.60
K
NIST
Tboil
398.40 ± 1.00
K
NIST
Tboil
398.85 ± 0.25
K
NIST
Tboil
398.82 ± 0.30
K
NIST
Tboil
399.15 ± 1.50
K
NIST
Tboil
397.80 ± 0.30
K
NIST
Tboil
Outlier 396.40 ± 2.00
K
NIST
Tboil
398.85 ± 0.40
K
NIST
Tboil
399.09 ± 0.30
K
NIST
Tboil
398.75 ± 0.10
K
NIST
Tboil
398.81 ± 0.44
K
NIST
Tboil
398.55 ± 0.30
K
NIST
Tboil
398.71 ± 0.20
K
NIST
Tboil
398.80 ± 0.40
K
NIST
Tboil
398.95 ± 0.50
K
NIST
Tboil
Outlier 393.15 ± 3.00
K
NIST
Tboil
398.81 ± 0.10
K
NIST
Tboil
398.90 ± 0.20
K
NIST
Tboil
398.25 ± 0.30
K
NIST
Tboil
398.62 ± 0.30
K
NIST
Tboil
397.85 ± 0.30
K
NIST
Tboil
397.20 ± 2.00
K
NIST
Tboil
398.75 ± 0.30
K
NIST
Tboil
398.80 ± 0.40
K
NIST
Tboil
398.85 ± 0.50
K
NIST
Tboil
397.35 ± 0.50
K
NIST
Tboil
398.75 ± 0.30
K
NIST
Tboil
398.90 ± 0.30
K
NIST
Tboil
398.75 ± 0.40
K
NIST
Tboil
398.81 ± 0.01
K
NIST
Tboil
397.65 ± 0.50
K
NIST
Tboil
397.40 ± 1.00
K
NIST
Tboil
398.15 ± 2.00
K
NIST
Tboil
398.70 ± 0.20
K
NIST
Tboil
398.95 ± 0.50
K
NIST
Tboil
398.90 ± 0.20
K
NIST
Tboil
398.75 ± 0.30
K
NIST
Tboil
398.81 ± 0.10
K
NIST
Tboil
398.80 ± 0.30
K
NIST
Tboil
397.15 ± 1.00
K
NIST
Tboil
398.75 ± 0.20
K
NIST
Tboil
Outlier 401.65 ± 0.50
K
NIST
Tboil
398.75 ± 0.30
K
NIST
Tboil
398.90 ± 0.20
K
NIST
Tboil
398.81 ± 0.20
K
NIST
Tboil
398.95 ± 0.20
K
NIST
Tboil
398.80 ± 0.05
K
NIST
Tboil
398.55 ± 0.50
K
NIST
Tboil
398.15 ± 0.60
K
NIST
Tboil
Outlier 396.00 ± 2.00
K
NIST
Tboil
398.55 ± 0.50
K
NIST
Tboil
398.75 ± 0.50
K
NIST
Tboil
398.74 ± 0.10
K
NIST
Tboil
398.35 ± 0.30
K
NIST
Tboil
398.55 ± 0.50
K
NIST
Tboil
398.74 ± 0.15
K
NIST
Tboil
397.75 ± 0.50
K
NIST
Tboil
398.95 ± 0.20
K
NIST
Tboil
398.15 ± 1.00
K
NIST
Tboil
397.65 ± 0.30
K
NIST
Tboil
399.00 ± 0.70
K
NIST
Tboil
399.00 ± 1.00
K
NIST
Tboil
398.15 ± 1.00
K
NIST
Tboil
398.95 ± 0.30
K
NIST
Tboil
398.15 ± 2.00
K
NIST
Tboil
398.95 ± 0.30
K
NIST
Tboil
398.64 ± 0.10
K
NIST
Tboil
398.45 ± 0.50
K
NIST
Tboil
Outlier 396.70 ± 1.50
K
NIST
Tc
[568.50; 569.60]
K
Tc
568.70 ± 0.30
K
NIST
Tc
568.50 ± 1.00
K
NIST
Tc
568.60 ± 0.30
K
NIST
Tc
568.65 ± 0.20
K
NIST
Tc
568.80 ± 0.60
K
NIST
Tc
568.70
K
NIST
Tc
568.92 ± 0.10
K
NIST
Tc
568.60 ± 0.20
K
NIST
Tc
568.80
K
NIST
Tc
568.80 ± 0.70
K
NIST
Tc
568.80 ± 0.20
K
NIST
Tc
568.80 ± 0.40
K
NIST
Tc
569.00 ± 0.30
K
NIST
Tc
569.00 ± 0.40
K
NIST
Tc
568.80 ± 0.20
K
NIST
Tc
568.75 ± 0.30
K
NIST
Tc
568.74 ± 0.40
K
NIST
Tc
568.77 ± 0.40
K
NIST
Tc
568.56 ± 0.20
K
NIST
Tc
569.15 ± 0.60
K
NIST
Tc
569.40 ± 1.00
K
NIST
Tc
569.35 ± 0.50
K
NIST
Tc
Outlier 569.60 ± 1.00
K
NIST
Tfus
[215.85; 227.31]
K
Tfus
216.32 ± 0.10
K
NIST
Tfus
216.36 ± 0.20
K
NIST
Tfus
216.35 ± 0.15
K
NIST
Tfus
216.34 ± 0.02
K
NIST
Tfus
216.35 ± 0.15
K
NIST
Tfus
216.35 ± 0.10
K
NIST
Tfus
216.34 ± 0.15
K
NIST
Tfus
216.35 ± 0.10
K
NIST
Tfus
216.35 ± 0.15
K
NIST
Tfus
216.35 ± 0.10
K
NIST
Tfus
216.36 ± 0.19
K
NIST
Tfus
216.28 ± 0.03
K
NIST
Tfus
216.34 ± 0.15
K
NIST
Tfus
216.34 ± 0.10
K
NIST
Tfus
216.30 ± 0.20
K
NIST
Tfus
216.35 ± 0.20
K
NIST
Tfus
216.26 ± 0.08
K
NIST
Tfus
216.15 ± 0.30
K
NIST
Tfus
216.59 ± 0.20
K
NIST
Tfus
215.85 ± 0.30
K
NIST
Tfus
216.59 ± 0.20
K
NIST
Tfus
216.34 ± 0.01
K
NIST
Tfus
216.34 ± 0.02
K
NIST
Tfus
216.34 ± 0.02
K
NIST
Tfus
216.35 ± 0.01
K
NIST
Tfus
215.90 ± 0.40
K
NIST
Tfus
Outlier 227.31 ± 0.20
K
NIST
Tfus
216.00 ± 2.00
K
NIST
Tfus
216.15 ± 1.50
K
NIST
Tfus
216.15 ± 0.50
K
NIST
Tfus
216.31 ± 0.05
K
NIST
Tfus
216.25 ± 0.30
K
NIST
Tfus
216.35 ± 0.40
K
NIST
Tfus
216.65 ± 0.30
K
NIST
Tfus
216.35 ± 0.20
K
NIST
Tfus
217.15 ± 2.00
K
NIST
Tfus
216.00 ± 2.00
K
NIST
Tfus
216.33 ± 0.10
K
NIST
Tfus
216.25 ± 0.50
K
NIST
Tfus
216.25 ± 0.08
K
NIST
Tfus
216.65 ± 0.30
K
NIST
Ttriple
[215.60; 216.37]
K
Ttriple
216.37 ± 0.40
K
NIST
Ttriple
216.37 ± 0.03
K
NIST
Ttriple
216.36 ± 0.20
K
NIST
Ttriple
216.37 ± 0.20
K
NIST
Ttriple
216.36 ± 0.05
K
NIST
Ttriple
216.37 ± 0.02
K
NIST
Ttriple
215.80 ± 0.20
K
NIST
Ttriple
215.85 ± 0.20
K
NIST
Ttriple
215.60 ± 0.25
K
NIST
Vc
0.492
m3 /kg-mol
NIST
Temperature Dependent Properties
Property
Value
Unit
Temperature (K)
Source
Cp,gas
[232.74; 297.00]
J/mol×K
[385.65; 523.15]
Cp,gas
232.74 ± 0.47
J/mol×K
385.65
NIST
Cp,gas
238.95 ± 0.48
J/mol×K
398.15
NIST
Cp,gas
242.67
J/mol×K
405.7
NIST
Cp,gas
250.59 ± 0.50
J/mol×K
423.15
NIST
Cp,gas
263.02 ± 0.53
J/mol×K
448.15
NIST
Cp,gas
270.70
J/mol×K
462.5
NIST
Cp,gas
274.84 ± 0.55
J/mol×K
473.15
NIST
Cp,gas
285.98 ± 0.57
J/mol×K
498.15
NIST
Cp,gas
295.39
J/mol×K
522.7
NIST
Cp,gas
297.00 ± 0.59
J/mol×K
523.15
NIST
Cp,liquid
[247.70; 262.20]
J/mol×K
[293.70; 318.15]
Cp,liquid
247.70
J/mol×K
293.7
NIST
Cp,liquid
252.40
J/mol×K
297.54
NIST
Cp,liquid
252.40
J/mol×K
298.0
NIST
Cp,liquid
253.20
J/mol×K
298.0
NIST
Cp,liquid
255.68
J/mol×K
298.15
NIST
Cp,liquid
255.68
J/mol×K
298.15
NIST
Cp,liquid
255.68
J/mol×K
298.15
NIST
Cp,liquid
254.11
J/mol×K
298.15
NIST
Cp,liquid
255.68
J/mol×K
298.15
NIST
Cp,liquid
254.18
J/mol×K
298.15
NIST
Cp,liquid
253.72
J/mol×K
298.15
NIST
Cp,liquid
254.02
J/mol×K
298.15
NIST
Cp,liquid
254.07
J/mol×K
298.15
NIST
Cp,liquid
252.92
J/mol×K
298.15
NIST
Cp,liquid
254.14
J/mol×K
298.15
NIST
Cp,liquid
253.89
J/mol×K
298.15
NIST
Cp,liquid
251.50
J/mol×K
298.3
NIST
Cp,liquid
254.70
J/mol×K
299.0
NIST
Cp,liquid
253.93
J/mol×K
299.8
NIST
Cp,liquid
262.20
J/mol×K
318.15
NIST
η
0.0002448
Pa×s
382.44
Joback
Calculated Property
Δfus H
[20.09; 21.80]
kJ/mol
[215.60; 216.60]
Δfus H
20.09
kJ/mol
215.6
NIST
Δfus H
20.65
kJ/mol
215.8
NIST
Δfus H
20.74
kJ/mol
216.38
NIST
Δfus H
20.74
kJ/mol
216.4
NIST
Δfus H
21.80
kJ/mol
216.6
NIST
Δsub H
68.10
kJ/mol
216.0
NIST
Δvap H
[34.41; 44.40]
kJ/mol
[247.00; 537.50]
Δvap H
44.40
kJ/mol
247.0
NIST
Δvap H
43.00
kJ/mol
257.0
NIST
Δvap H
38.00 ± 0.10
kJ/mol
311.0
NIST
Δvap H
40.50 ± 0.10
kJ/mol
313.0
NIST
Δvap H
41.90
kJ/mol
315.5
NIST
Δvap H
36.70 ± 0.10
kJ/mol
328.0
NIST
Δvap H
39.10 ± 0.10
kJ/mol
333.0
NIST
Δvap H
35.40 ± 0.10
kJ/mol
344.0
NIST
Δvap H
41.00
kJ/mol
348.5
NIST
Δvap H
41.20
kJ/mol
348.5
NIST
Δvap H
37.80 ± 0.10
kJ/mol
353.0
NIST
Δvap H
39.20
kJ/mol
363.0
NIST
Δvap H
34.41
kJ/mol
398.8
NIST
Δvap H
36.30
kJ/mol
414.0
NIST
Δvap H
39.40
kJ/mol
443.0
NIST
Δvap H
35.50
kJ/mol
469.0
NIST
Δvap H
34.90
kJ/mol
537.5
NIST
Δfus S
93.19
J/mol×K
215.6
NIST
Δfus S
95.70
J/mol×K
215.8
NIST
Δfus S
95.85
J/mol×K
216.38
NIST
Molecular Descriptors
Joback and Reid Groups
-CH2-
6
-CH3
2
Similar Compounds
Find more compounds similar to Octane .
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that the value is more than 2 standard deviations away from the
property mean.