Chemical Properties of n-Hexane (CAS 110-54-3)

n-Hexane

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InChI
InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChI Key
VLKZOEOYAKHREP-UHFFFAOYSA-N
Formula
C6H14
SMILES
CCCCCC
Molecular Weight1
86.18
CAS
110-54-3
Other Names
  • Esani
  • Gettysolve-B
  • Heksan
  • Hexane
  • Hexanen
  • Hexyl hydride
  • NCI-C60571
  • NSC 68472
  • Skellysolve B
  • n-C6H14
Sources

Physical Properties

Property Value Unit Source
Δcliquid [-4175.00; -4147.00] kJ/mol Show Hide
Δcliquid -4163.20 ± 0.54 kJ/mol NIST
Δcliquid -4163.10 ± 0.71 kJ/mol NIST
Δcliquid -4163.00 ± 0.84 kJ/mol NIST
Δcliquid -4163.70 ± 1.40 kJ/mol NIST
Δcliquid -4147.00 kJ/mol NIST
Δcliquid -4175.00 kJ/mol NIST
Δf -0.36 kJ/mol Joback Calculated Property
Δfgas -167.10 kJ/mol NIST
Δfgas -167.20 ± 0.79 kJ/mol NIST
Δfliquid -198.70 ± 0.67 kJ/mol NIST
Δfliquid -198.80 ± 0.79 kJ/mol NIST
Δfus 11.30 kJ/mol Joback Calculated Property
Δvap [30.00; 32.10] kJ/mol Show Hide
Δvap 31.73 kJ/mol NIST
Δvap 31.40 ± 0.20 kJ/mol NIST
Δvap 31.50 ± 0.10 kJ/mol NIST
Δvap 31.50 kJ/mol NIST
Δvap 32.10 kJ/mol NIST
Δvap 31.60 ± 0.10 kJ/mol NIST
Δvap 31.55 kJ/mol NIST
Δvap Outlier 30.00 kJ/mol NIST
Δvap 31.50 ± 0.10 kJ/mol NIST
Δvap 31.54 kJ/mol NIST
Δvap 31.00 ± 0.20 kJ/mol NIST
IE [9.97; 10.29] eV Show Hide
IE 10.13 ± 0.10 eV NIST
IE 10.29 eV NIST
IE 9.97 eV NIST
IE 10.13 ± 0.10 eV NIST
IE 10.03 ± 0.15 eV NIST
IE 10.16 eV NIST
IE 10.22 eV NIST
IE 10.27 eV NIST
IE 10.18 eV NIST
logPoct/wat 2.59 Crippen Calculated Property
Pc [2940.00; 3058.00] kPa Show Hide
Pc 3030.00 ± 20.00 kPa NIST
Pc 2990.00 ± 40.00 kPa NIST
Pc 2980.00 ± 50.00 kPa NIST
Pc 2990.00 ± 10.00 kPa NIST
Pc 3014.00 ± 20.00 kPa NIST
Pc 3012.00 kPa NIST
Pc 3025.00 ± 5.00 kPa NIST
Pc 3036.00 ± 30.00 kPa NIST
Pc 3036.00 ± 100.00 kPa NIST
Pc 3051.00 ± 50.00 kPa NIST
Pc 3058.00 ± 50.00 kPa NIST
Pc 3031.62 ± 8.00 kPa NIST
Pc 3034.81 ± 3.44 kPa NIST
Pc 3048.00 ± 3.00 kPa NIST
Pc 3032.00 ± 3.00 kPa NIST
Pc 3034.80 ± 3.44 kPa NIST
Pc 3046.00 ± 6.89 kPa NIST
Pc 3033.68 ± 20.68 kPa NIST
Pc 3051.00 ± 3.45 kPa NIST
Pc 3030.00 ± 50.66 kPa NIST
Pc 2999.22 ± 151.99 kPa NIST
Pc 2992.00 ± 55.15 kPa NIST
Pc 3034.00 ± 5.06 kPa NIST
Pc 2999.80 ± 33.30 kPa NIST
Pc Outlier 2940.00 ± 98.07 kPa NIST
gas 388.82 ± 0.84 J/mol×K NIST
liquid [289.50; 297.50] J/mol×K Show Hide
liquid 296.06 J/mol×K NIST
liquid 289.50 J/mol×K NIST
liquid 295.40 J/mol×K NIST
liquid 297.50 J/mol×K NIST
Tboil [340.75; 371.80] K Show Hide
Tboil 341.90 ± 0.30 K NIST
Tboil 341.95 ± 0.10 K NIST
Tboil 341.85 ± 0.30 K NIST
Tboil 341.91 ± 0.20 K NIST
Tboil 341.60 ± 0.30 K NIST
Tboil 342.25 ± 0.50 K NIST
Tboil 341.90 K NIST
Tboil 341.45 ± 0.50 K NIST
Tboil 341.90 K NIST
Tboil 341.85 ± 0.50 K NIST
Tboil 341.90 ± 0.40 K NIST
Tboil 341.85 ± 0.30 K NIST
Tboil 341.85 ± 0.30 K NIST
Tboil 341.89 ± 0.10 K NIST
Tboil 341.91 ± 0.15 K NIST
Tboil 341.95 ± 0.20 K NIST
Tboil 341.75 ± 0.20 K NIST
Tboil 340.80 ± 0.30 K NIST
Tboil 341.35 ± 0.40 K NIST
Tboil 341.85 ± 0.30 K NIST
Tboil 341.90 ± 0.50 K NIST
Tboil 341.93 ± 0.30 K NIST
Tboil 341.90 ± 0.30 K NIST
Tboil 341.85 ± 0.20 K NIST
Tboil 340.90 ± 0.20 K NIST
Tboil 341.86 ± 0.15 K NIST
Tboil 341.90 ± 0.20 K NIST
Tboil 341.90 ± 0.30 K NIST
Tboil 342.00 ± 0.30 K NIST
Tboil 341.85 ± 0.30 K NIST
Tboil 341.85 ± 0.30 K NIST
Tboil 341.85 ± 0.30 K NIST
Tboil 342.90 ± 0.60 K NIST
Tboil 341.92 ± 0.10 K NIST
Tboil 341.80 ± 0.30 K NIST
Tboil 342.00 ± 0.40 K NIST
Tboil 341.87 ± 0.38 K NIST
Tboil 340.85 ± 0.50 K NIST
Tboil 341.80 ± 0.10 K NIST
Tboil 341.92 ± 0.10 K NIST
Tboil Outlier 371.80 ± 0.20 K NIST
Tboil 341.97 ± 0.15 K NIST
Tboil 341.95 ± 0.30 K NIST
Tboil 342.70 ± 0.30 K NIST
Tboil 341.83 ± 0.15 K NIST
Tboil 341.90 ± 0.20 K NIST
Tboil 342.00 ± 0.30 K NIST
Tboil 340.75 ± 2.00 K NIST
Tboil 342.15 ± 1.50 K NIST
Tboil 341.85 ± 0.30 K NIST
Tboil 341.80 ± 0.40 K NIST
Tboil 341.83 ± 0.20 K NIST
Tboil 341.89 ± 0.01 K NIST
Tboil 341.85 ± 0.07 K NIST
Tboil 341.85 ± 0.30 K NIST
Tboil 341.85 ± 0.50 K NIST
Tboil 341.89 ± 0.05 K NIST
Tboil 341.90 ± 0.10 K NIST
Tboil 341.85 ± 1.00 K NIST
Tboil 341.85 ± 0.20 K NIST
Tboil 341.75 ± 0.70 K NIST
Tboil 341.55 ± 0.80 K NIST
Tboil 341.55 ± 0.40 K NIST
Tboil 341.80 ± 0.20 K NIST
Tboil 341.87 ± 0.20 K NIST
Tboil 341.87 ± 0.20 K NIST
Tboil 341.00 ± 2.00 K NIST
Tboil 341.90 ± 0.20 K NIST
Tboil 341.88 ± 0.05 K NIST
Tboil 341.95 ± 0.20 K NIST
Tboil 341.78 ± 0.15 K NIST
Tboil 341.91 ± 0.10 K NIST
Tboil 341.88 ± 0.05 K NIST
Tboil 341.81 ± 0.07 K NIST
Tboil 341.85 ± 0.50 K NIST
Tboil 342.65 ± 0.40 K NIST
Tboil 342.15 ± 1.00 K NIST
Tboil 341.85 ± 0.07 K NIST
Tboil 341.86 ± 0.10 K NIST
Tboil 342.00 ± 0.30 K NIST
Tboil 341.95 ± 0.10 K NIST
Tboil 342.15 ± 0.50 K NIST
Tboil 341.95 ± 0.15 K NIST
Tboil 341.65 ± 0.50 K NIST
Tboil 341.65 ± 0.50 K NIST
Tboil 341.15 ± 1.00 K NIST
Tboil 342.15 ± 1.00 K NIST
Tboil 342.10 ± 0.30 K NIST
Tboil 342.10 ± 0.50 K NIST
Tboil 341.00 ± 6.00 K NIST
Tboil 342.10 ± 0.40 K NIST
Tboil 341.15 ± 2.00 K NIST
Tboil 341.90 ± 3.00 K NIST
Tboil 342.15 ± 2.00 K NIST
Tboil 342.00 ± 0.20 K NIST
Tboil 342.00 ± 0.20 K NIST
Tboil 343.65 ± 1.50 K NIST
Tboil 341.60 ± 1.00 K NIST
Tboil 342.00 ± 3.00 K NIST
Tboil 342.10 ± 0.40 K NIST
Tc [500.70; 509.85] K Show Hide
Tc 507.60 ± 0.20 K NIST
Tc Outlier 504.70 ± 2.00 K NIST
Tc Outlier 504.50 ± 4.00 K NIST
Tc 507.20 ± 1.00 K NIST
Tc 507.50 ± 0.40 K NIST
Tc 507.30 ± 0.30 K NIST
Tc 507.40 ± 0.60 K NIST
Tc 507.30 K NIST
Tc 507.53 ± 0.10 K NIST
Tc 507.33 ± 0.40 K NIST
Tc 507.40 K NIST
Tc 507.40 ± 0.30 K NIST
Tc 507.33 ± 0.40 K NIST
Tc 507.86 ± 0.15 K NIST
Tc 507.68 ± 0.20 K NIST
Tc 507.55 ± 0.20 K NIST
Tc 507.85 ± 0.20 K NIST
Tc 508.00 ± 0.50 K NIST
Tc 507.40 ± 0.30 K NIST
Tc 507.80 ± 0.30 K NIST
Tc 507.70 ± 0.30 K NIST
Tc 507.40 ± 0.30 K NIST
Tc 507.40 ± 0.30 K NIST
Tc 507.40 ± 0.30 K NIST
Tc 507.40 ± 0.30 K NIST
Tc 507.40 ± 0.30 K NIST
Tc 507.40 ± 0.30 K NIST
Tc 507.40 ± 0.30 K NIST
Tc 507.68 ± 0.20 K NIST
Tc 507.30 ± 0.40 K NIST
Tc 508.50 ± 0.60 K NIST
Tc 508.00 ± 0.60 K NIST
Tc 507.85 ± 0.25 K NIST
Tc 507.60 ± 0.20 K NIST
Tc 507.90 ± 0.40 K NIST
Tc 507.30 ± 0.20 K NIST
Tc 507.65 ± 0.10 K NIST
Tc 507.95 ± 1.50 K NIST
Tc 509.85 ± 0.20 K NIST
Tc 507.90 ± 2.22 K NIST
Tc 507.90 ± 0.30 K NIST
Tc Outlier 500.70 ± 7.00 K NIST
Tc 508.00 ± 1.00 K NIST
Tc 507.70 ± 1.00 K NIST
Tfus [175.95; 179.15] K Show Hide
Tfus 178.15 ± 0.15 K NIST
Tfus 177.79 ± 0.02 K NIST
Tfus 177.80 ± 0.04 K NIST
Tfus 177.78 ± 0.07 K NIST
Tfus 177.70 ± 0.20 K NIST
Tfus 177.80 ± 0.07 K NIST
Tfus 177.80 ± 0.03 K NIST
Tfus 177.76 ± 0.10 K NIST
Tfus 177.59 ± 0.20 K NIST
Tfus Outlier 176.37 ± 0.30 K NIST
Tfus 177.59 ± 0.30 K NIST
Tfus Outlier 176.45 ± 1.00 K NIST
Tfus 177.80 ± 0.05 K NIST
Tfus 177.81 ± 0.03 K NIST
Tfus 177.76 ± 0.15 K NIST
Tfus 177.81 ± 0.01 K NIST
Tfus 177.80 ± 0.06 K NIST
Tfus 177.83 ± 0.04 K NIST
Tfus 177.76 ± 0.10 K NIST
Tfus Outlier 179.15 ± 1.50 K NIST
Tfus 177.65 ± 0.30 K NIST
Tfus 177.65 ± 0.20 K NIST
Tfus 178.15 ± 2.00 K NIST
Tfus 177.15 ± 1.00 K NIST
Tfus 177.15 ± 0.50 K NIST
Tfus 178.55 ± 0.40 K NIST
Tfus 177.76 ± 0.08 K NIST
Tfus 177.76 ± 0.08 K NIST
Tfus Outlier 175.95 ± 1.00 K NIST
Tfus 178.05 ± 0.30 K NIST
Tfus 177.15 ± 1.00 K NIST
Tfus 178.85 ± 0.30 K NIST
Ttriple [177.82; 178.60] K Show Hide
Ttriple 177.83 ± 0.40 K NIST
Ttriple 177.82 ± 0.05 K NIST
Ttriple 177.82 ± 0.03 K NIST
Ttriple 177.84 ± 0.07 K NIST
Ttriple 177.83 ± 0.03 K NIST
Ttriple 177.90 ± 0.10 K NIST
Ttriple 177.90 ± 0.30 K NIST
Ttriple 178.15 ± 0.30 K NIST
Ttriple Outlier 178.60 ± 0.20 K NIST
Vc 0.37 m3/kg-mol NIST
Vc 0.37 ± 0.01 m3/kg-mol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [156.27; 206.94] J/mol×K [333.85; 468.90] Show Hide
Plot of Ideal gas heat capacity.
Cp,gas 156.27 ± 0.31 J/mol×K 333.85 NIST
Cp,gas 168.28 ± 0.34 J/mol×K 365.15 NIST
Cp,gas 181.17 ± 0.36 J/mol×K 398.85 NIST
Cp,gas 194.10 ± 0.39 J/mol×K 433.7 NIST
Cp,gas 206.94 ± 0.41 J/mol×K 468.9 NIST
Cp,liquid [184.20; 265.20] J/mol×K [293.50; 308.35] Show Hide
Plot of Liquid phase heat capacity.
Cp,liquid 193.30 J/mol×K 293.5 NIST
Cp,liquid 191.60 J/mol×K 295.1 NIST
Cp,liquid 195.64 J/mol×K 297.316 NIST
Cp,liquid 196.10 J/mol×K 297.32 NIST
Cp,liquid 195.10 J/mol×K 298.0 NIST
Cp,liquid 196.20 J/mol×K 298.0 NIST
Cp,liquid 194.10 J/mol×K 298.0 NIST
Cp,liquid 189.10 J/mol×K 298.1 NIST
Cp,liquid 265.20 J/mol×K 298.15 NIST
Cp,liquid 195.52 J/mol×K 298.15 NIST
Cp,liquid 197.66 J/mol×K 298.15 NIST
Cp,liquid 197.66 J/mol×K 298.15 NIST
Cp,liquid 195.64 J/mol×K 298.15 NIST
Cp,liquid 195.84 J/mol×K 298.15 NIST
Cp,liquid 197.66 J/mol×K 298.15 NIST
Cp,liquid 194.96 J/mol×K 298.15 NIST
Cp,liquid 195.80 J/mol×K 298.15 NIST
Cp,liquid 195.33 J/mol×K 298.15 NIST
Cp,liquid 195.80 J/mol×K 298.15 NIST
Cp,liquid 195.80 J/mol×K 298.15 NIST
Cp,liquid 195.33 J/mol×K 298.15 NIST
Cp,liquid 195.76 J/mol×K 298.15 NIST
Cp,liquid 198.50 J/mol×K 298.15 NIST
Cp,liquid 194.97 J/mol×K 298.15 NIST
Cp,liquid 196.10 J/mol×K 299.8 NIST
Cp,liquid 184.20 J/mol×K 300.0 NIST
Cp,liquid 186.20 J/mol×K 300.7 NIST
Cp,liquid 203.00 J/mol×K 308.35 NIST
η 0.00 Pa×s 336.68 Joback Calculated Property
ΔfusH [12.34; 13.08] kJ/mol [177.80; 178.60] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 13.08 kJ/mol 177.8 NIST
ΔfusH 13.08 kJ/mol 177.8 NIST
ΔfusH 13.08 kJ/mol 177.84 NIST
ΔfusH 12.34 kJ/mol 177.9 NIST
ΔfusH 13.03 kJ/mol 177.9 NIST
ΔfusH 12.58 kJ/mol 178.6 NIST
ΔsubH 50.80 kJ/mol 178.0 NIST
ΔvapH [8.90; 35.70] kJ/mol [221.50; 498.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 32.50 kJ/mol 221.5 NIST
ΔvapH 35.70 kJ/mol 224.0 NIST
ΔvapH 34.90 kJ/mol 268.0 NIST
ΔvapH 30.90 ± 0.10 kJ/mol 309.0 NIST
ΔvapH 31.60 kJ/mol 310.5 NIST
ΔvapH 30.70 ± 0.10 kJ/mol 313.0 NIST
ΔvapH 30.50 ± 0.20 kJ/mol 313.0 NIST
ΔvapH 32.00 kJ/mol 314.5 NIST
ΔvapH 30.90 kJ/mol 318.0 NIST
ΔvapH 31.50 kJ/mol 320.5 NIST
ΔvapH 29.80 ± 0.10 kJ/mol 328.0 NIST
ΔvapH 29.50 ± 0.10 kJ/mol 333.0 NIST
ΔvapH 29.00 ± 0.20 kJ/mol 333.0 NIST
ΔvapH 28.85 kJ/mol 341.9 NIST
ΔvapH 28.20 ± 0.10 kJ/mol 353.0 NIST
ΔvapH 28.20 ± 0.20 kJ/mol 353.0 NIST
ΔvapH 30.10 kJ/mol 359.0 NIST
ΔvapH 26.60 kJ/mol 373.0 NIST
ΔvapH 29.30 kJ/mol 412.5 NIST
ΔvapH 22.50 kJ/mol 423.0 NIST
ΔvapH 15.70 kJ/mol 473.0 NIST
ΔvapH 29.40 kJ/mol 476.5 NIST
ΔvapH 8.90 kJ/mol 498.0 NIST
ΔfusS [69.38; 73.54] J/mol×K [177.84; 178.60] Show Hide
ΔfusS 73.54 J/mol×K 177.84 NIST
ΔfusS 69.38 J/mol×K 177.9 NIST
ΔfusS 73.30 J/mol×K 177.9 NIST
ΔfusS 70.44 J/mol×K 178.6 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 4
-CH3 2

Similar Compounds

1-Hexyl radical. 2-Hexyl radical. Cyclohexane. 1-Heptyl radical. Heptane. 2-Heptyl radical. Cyclohexyl radical. Pentane. 2-Pentyl radical. 1-Pentyl radical. 3-Pentyl. Cyclononane. dooctacontane. Tetrapentacontane. Tetratriacontane.

Find more compounds similar to n-Hexane.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.