Hexane (data page)

This page provides supplementary chemical data on n-hexane.

Material Safety Data Sheet

The handling of this chemical may incur notable safety precautions. It is highly recommend that you seek the Material Safety Datasheet (MSDS) for this chemical from a reliable source and follow its directions.

Structure and properties

Structure and properties
Index of refraction, nD 1.3727 at 20°C
Abbe number ?
Dielectric constant, εr 1.890 ε0 at 20 °C
Bond strength ?
Bond length
Bond angle ?
Magnetic susceptibility ?
Surface tension[1] 20.5 dyn/cm at 0°C
18.4 dyn/cm at 20°C
13.4 dyn/cm at 68°C
Viscosity[2] 0.4012 mPa·s at 0°C
0.3258 mPa·s at 20°C
0.2798 mPa·s at 40°C
0.2288 mPa·s at 80°C

Thermodynamic properties

Phase behavior
Triple point 178.0 K (–95.1 °C), 1.23 Pa
Critical point 507.6 K (234.5 °C), 3020 kPa
Std enthalpy change
of fusion, ΔfusHo		 13 kJ/mol
Std entropy change
of fusion, ΔfusSo		 70 J/(mol·K)
Std enthalpy change
of vaporization, ΔvapHo		 28.85 kJ/mol at 68.8°C
Std entropy change
of vaporization, ΔvapSo		 ? J/(mol·K)
Solid properties
Std enthalpy change
of formation, ΔfHosolid		 ? kJ/mol
Standard molar entropy,
Sosolid		 ? J/(mol K)
Heat capacity, cp ? J/(mol K)
Liquid properties
Std enthalpy change
of formation, ΔfHoliquid		 –198.7 kJ/mol
Standard molar entropy,
Soliquid		 295 J/(mol K)
Enthalpy of combustion, ΔcHo –4163 kJ/mol
Heat capacity, cp 197.66 J/(mol K)
Gas properties
Std enthalpy change
of formation, ΔfHogas		 –167.2 kJ/mol
Standard molar entropy,
Sogas		 388.82 J/(mol K)
Heat capacity, cp 142.6 J/(mol K) at 25°C
van der Waals' constants[3] a = 2471 L2 kPa/mol2
b = 0.1735 liter per mole

Vapor pressure of liquid

P in mm Hg 1 10 40 100 400 760 1520 3800 7600 15200 30400 45600
T in °C –53.9 –25.0 –2.3 15.8 49.6 68.7 93.0 131.7 166.6 209.4  —  —

Table data obtained from CRC Handbook of Chemistry and Physics 44th ed.

log10 of Hexane vapor pressure. Uses formula: obtained from CHERIC[4]

Distillation data

Vapor-Liquid Equilibrium
of n-Hexane/Ethanol[5]
P = 760 mm Hg
BP
Temp.
°C		 % by mole ethanol
liquid vapor
76.0 99.0 90.5
73.2 98.0 80.7
67.4 94.0 63.5
65.9 92.0 58.0
61.8 84.8 46.8
59.4 75.5 39.5
58.7 66.7 37.0
58.35 54.8 36.0
58.1 41.2 35.0
58.0 33.0 34.0
58.25 27.5 33.0
58.45 23.5 32.5
59.15 10.2 29.0
60.2 4.5 25.5
63.5 1.0 16.0
66.7 0.6 6.5
    
Vapor-Liquid Equilibrium
of n-Hexane/Methanol[5]
P = 760 mm Hg
BP
Temp.
°C		 % by mole methanol
liquid vapor
56.9 1.0 30.0
51.3 2.2 41.8
51.2 4.0 43.9
50.5 9.5 47.7
49.9 17.5 49.1
50.0 28.3 49.6
49.9 40.5 49.7
49.0 52.5 50.2
49.9 70.4 50.0
49.9 72.4 50.0
50.2 84.6 51.6
50.1 85.4 51.6
50.2 87.5 51.5
51.4 90.6 55.0
51.2 90.6 55.1
51.7 92.2 56.0
51.6 92.3 56.0
52.8 94.9 61.2
53.8 95.7 63.5
54.7 96.5 66.4
55.8 96.5 69.5
55.6 96.8 69.4
58.2 97.7 76.8
57.9 97.8 75.5
63.0 99.3 93.5
63.5 99.55 95.0
    
Vapor-Liquid Equilibrium
of n-Hexane/n-Heptane[5]
P = 101.0 kPa
BP
Temp.
°C		 % by mole hexane
liquid vapor
98.32 0.00 0.00
96.30 3.83 8.52
94.03 9.64 19.86
92.35 13.63 27.31
90.37 19.04 36.00
88.26 24.59 44.07
85.96 31.46 52.58
83.22 39.53 62.36
82.41 43.21 65.34
80.80 48.53 70.30
79.78 51.23 72.70
78.79 55.71 76.22
77.12 61.87 80.74
75.57 68.24 84.95
74.98 70.12 86.15
73.51 76.79 89.93
81.40 81.60 92.40
70.59 89.91 96.37
68.66 100.00 100.00

Spectral data

UV-Vis
λmax ? nm
Extinction coefficient, ε ?
IR
Major absorption bands ? cm−1
NMR
Proton NMR (CDCl3, 400 MHz) δ 1.35-1.23 (m, 8H), 0.91-0.86 (m, 6H)
Carbon-13 NMR (CDCl3, 25 MHz) δ 31.9, 22.9, 12.2
Other NMR data  
MS
Masses of
main fragments		  

References

  1. ↑ Lange's Handbook of Chemistry, 10th ed, pp 1661-1663
  2. ↑ Lange's Handbook of Chemistry, 10th ed, pp 1669-1674
  3. ↑ Lange's Handbook of Chemistry 10th ed, pp 1522-1524
  4. ↑ "Pure Component Properties" (Queriable database). Chemical Engineering Research Information Center. Retrieved 25 May 2007.
  5. 1 2 3 "Binary Vapor-Liquid Equilibrium Data". Chemical Engineering Research Information Center. Retrieved 25 May 2007.

Except where noted otherwise, data relate to standard ambient temperature and pressure.

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