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.

• eChemPortal
• Science Stuff
• Fisher Scientific.

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: ${\displaystyle \scriptstyle \log _{e}P_{mmHg}=}$${\displaystyle \scriptstyle \log _{e}({\frac {760}{101.325}})-13.99935\log _{e}(T+273.15)-{\frac {7284.572}{T+273.15}}+105.9605+1.410325\times 10^{-5}(T+273.15)^{2}}$ 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

  This box:

• view
• edit

  

• Except where noted otherwise, data relate to Standard temperature and pressure.
• Reliability of data general note.