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, n_D	1.3727 at 20 °C
Abbe number	?
Dielectric constant, ε_r	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, Δ_fusH^o	13 kJ/mol
Std entropy change of fusion, Δ_fusS^o	70 J/(mol·K)
Std enthalpy change of vaporization, Δ_vapH^o	28.85 kJ/mol at 68.8 °C
Std entropy change of vaporization, Δ_vapS^o	? J/(mol·K)
Solid properties
Std enthalpy change of formation, Δ_fH^o_solid	? kJ/mol
Standard molar entropy, S^o_solid	? J/(mol K)
Heat capacity, c_p	? J/(mol K)
Liquid properties
Std enthalpy change of formation, Δ_fH^o_liquid	–198.7 kJ/mol
Standard molar entropy, S^o_liquid	295 J/(mol K)
Enthalpy of combustion, Δ_cH^o	–4163 kJ/mol
Heat capacity, c_p	197.66 J/(mol K)
Gas properties
Std enthalpy change of formation, Δ_fH^o_gas	–167.2 kJ/mol
Standard molar entropy, S^o_gas	388.82 J/(mol K)
Heat capacity, c_p	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:

\scriptstyle \log _{e}P_{mmHg}=

\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

BP Temp. °C	% by mole ethanol
Vapor-Liquid Equilibrium of n-Hexane/Ethanol[5] P = 760 mm Hg
BP Temp. °C	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

BP Temp. °C	% by mole methanol
Vapor-Liquid Equilibrium of n-Hexane/Methanol[5] P = 760 mm Hg
BP Temp. °C	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

BP Temp. °C	% by mole hexane
Vapor-Liquid Equilibrium of n-Hexane/n-Heptane[5] P = 101.0 kPa
BP Temp. °C	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
λ_max	? 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

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References

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

"NIST Standard Reference Database".

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

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[1] Lange's Handbook of Chemistry, 10th ed, pp 1661-1663

[2] Lange's Handbook of Chemistry, 10th ed, pp 1669-1674

[lange1522-3] Lange's Handbook of Chemistry 10th ed, pp 1522-1524

[cheric_p-4] "Pure Component Properties" (Queriable database). Chemical Engineering Research Information Center. Retrieved 25 May 2007.

[cheric_b-5] "Binary Vapor-Liquid Equilibrium Data". Chemical Engineering Research Information Center. Retrieved 25 May 2007.