Chemical Properties of Cyclohexane, methyl- (CAS 108-87-2)

Cyclohexane, methyl-

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InChI
InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChI Key
UAEPNZWRGJTJPN-UHFFFAOYSA-N
Formula
C7H14
SMILES
CC1CCCCC1
Molecular Weight1
98.19
CAS
108-87-2
Other Names
  • Cyclohexylmethane
  • Hexahydrotoluene
  • Hexahydroxytoluene
  • Methylcyclohexane
  • Metylocykloheksan
  • NSC 9391
  • Sextone B
  • Toluene hexahydride
  • Toluene, hexahydro-
  • UN 2296
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4565.29 ± 0.96 kJ/mol NIST
Δcliquid -4564.30 ± 1.90 kJ/mol NIST
Δcliquid -4604.90 kJ/mol NIST
Δf 32.51 kJ/mol Joback Calculated Property
Δfgas -154.80 ± 1.00 kJ/mol NIST
Δfgas -159.90 kJ/mol NIST
Δfliquid -190.20 ± 1.00 kJ/mol NIST
Δfliquid -195.30 ± 1.90 kJ/mol NIST
Δfus 5.72 kJ/mol Joback Calculated Property
Δvap [31.60; 35.44] kJ/mol Show Hide
Δvap 35.44 kJ/mol NIST
Δvap 35.10 ± 0.40 kJ/mol NIST
Δvap 35.40 ± 0.10 kJ/mol NIST
Δvap 35.40 ± 0.30 kJ/mol NIST
Δvap 35.40 kJ/mol NIST
Δvap 35.30 kJ/mol NIST
Δvap 35.20 ± 0.20 kJ/mol NIST
Δvap 35.20 ± 0.20 kJ/mol NIST
Δvap 35.35 kJ/mol NIST
Δvap 35.40 kJ/mol NIST
Δvap Outlier 31.60 kJ/mol NIST
IE [9.62; 9.85] eV Show Hide
IE 9.64 ± 0.10 eV NIST
IE 9.62 ± 0.05 eV NIST
IE 9.64 eV NIST
IE 9.64 ± 0.10 eV NIST
IE 9.69 ± 0.15 eV NIST
IE 9.76 ± 0.03 eV NIST
IE Outlier 9.85 ± 0.03 eV NIST
logPoct/wat 2.587 Crippen Calculated Property
Pc 3480.00 ± 20.00 kPa NIST
Pc 3471.00 ± 30.40 kPa NIST
Pc 3477.68 ± 5.06 kPa NIST
gas 343.30 J/mol×K NIST
liquid 247.90 J/mol×K NIST
liquid 248.10 J/mol×K NIST
Tboil [353.05; 379.40] K Show Hide
Tboil 374.06 ± 0.20 K NIST
Tboil 374.12 ± 0.20 K NIST
Tboil 373.80 ± 0.30 K NIST
Tboil 374.10 K NIST
Tboil 373.00 ± 2.00 K NIST
Tboil 373.50 ± 1.00 K NIST
Tboil 374.10 K NIST
Tboil 374.07 ± 0.10 K NIST
Tboil 374.07 ± 0.20 K NIST
Tboil 374.20 ± 1.50 K NIST
Tboil 374.00 ± 2.00 K NIST
Tboil 373.90 ± 0.30 K NIST
Tboil 374.08 ± 0.15 K NIST
Tboil 376.00 ± 2.00 K NIST
Tboil 374.10 ± 0.60 K NIST
Tboil 374.00 ± 2.00 K NIST
Tboil 374.00 ± 1.00 K NIST
Tboil 373.91 ± 0.30 K NIST
Tboil 373.70 ± 1.00 K NIST
Tboil 373.50 ± 2.00 K NIST
Tboil 374.10 ± 1.50 K NIST
Tboil 374.00 ± 2.00 K NIST
Tboil 374.00 ± 0.40 K NIST
Tboil 374.00 ± 0.30 K NIST
Tboil 374.00 ± 2.00 K NIST
Tboil 373.00 ± 5.00 K NIST
Tboil 373.80 ± 1.00 K NIST
Tboil 374.00 ± 3.00 K NIST
Tboil 373.70 ± 1.50 K NIST
Tboil 374.07 ± 0.20 K NIST
Tboil 373.80 ± 1.00 K NIST
Tboil 373.80 ± 1.00 K NIST
Tboil 373.20 ± 0.60 K NIST
Tboil 374.10 ± 1.00 K NIST
Tboil 374.10 ± 1.00 K NIST
Tboil 374.08 ± 0.20 K NIST
Tboil 373.50 ± 1.50 K NIST
Tboil 374.00 ± 0.30 K NIST
Tboil 375.00 ± 2.00 K NIST
Tboil 373.00 ± 0.00 K NIST
Tboil 373.00 ± 2.00 K NIST
Tboil 373.50 ± 1.50 K NIST
Tboil 374.13 ± 0.50 K NIST
Tboil 374.09 ± 0.20 K NIST
Tboil 374.10 ± 0.20 K NIST
Tboil 374.10 ± 0.30 K NIST
Tboil 373.20 ± 2.00 K NIST
Tboil 374.05 ± 0.50 K NIST
Tboil 373.75 ± 0.50 K NIST
Tboil 374.00 ± 0.40 K NIST
Tboil 374.40 ± 1.00 K NIST
Tboil 374.20 ± 0.15 K NIST
Tboil 374.20 ± 0.30 K NIST
Tboil 374.02 ± 0.22 K NIST
Tboil 374.40 ± 0.50 K NIST
Tboil 373.15 ± 1.00 K NIST
Tboil 373.95 ± 0.30 K NIST
Tboil 374.09 ± 0.05 K NIST
Tboil 374.05 ± 0.30 K NIST
Tboil 373.95 ± 0.50 K NIST
Tboil 374.08 ± 0.01 K NIST
Tboil 374.09 ± 0.20 K NIST
Tboil 374.20 ± 0.20 K NIST
Tboil 373.80 ± 0.40 K NIST
Tboil Outlier 353.05 ± 0.30 K NIST
Tboil 374.08 ± 0.06 K NIST
Tboil 374.30 ± 0.20 K NIST
Tboil 374.05 ± 0.50 K NIST
Tboil 374.09 ± 0.10 K NIST
Tboil 374.02 ± 0.20 K NIST
Tboil 374.32 ± 0.15 K NIST
Tboil 373.60 ± 0.40 K NIST
Tboil 373.95 ± 0.20 K NIST
Tboil 374.20 ± 0.60 K NIST
Tboil 374.15 ± 0.50 K NIST
Tboil 373.95 ± 0.20 K NIST
Tboil 373.00 ± 3.00 K NIST
Tboil 373.95 ± 0.50 K NIST
Tboil 372.95 ± 2.50 K NIST
Tboil 373.95 ± 0.30 K NIST
Tboil 373.95 ± 0.30 K NIST
Tboil 374.00 ± 0.60 K NIST
Tboil 375.15 ± 1.50 K NIST
Tboil 374.15 ± 1.50 K NIST
Tboil 374.30 ± 0.30 K NIST
Tboil 374.30 ± 0.50 K NIST
Tboil 374.10 ± 0.30 K NIST
Tboil 373.95 ± 0.50 K NIST
Tboil 374.35 ± 0.30 K NIST
Tboil 374.40 ± 0.30 K NIST
Tboil 373.85 ± 0.30 K NIST
Tboil 373.90 ± 0.20 K NIST
Tboil 374.40 ± 1.00 K NIST
Tboil 373.45 ± 0.15 K NIST
Tboil 373.60 ± 1.00 K NIST
Tboil 373.60 ± 0.60 K NIST
Tboil 376.00 ± 2.00 K NIST
Tboil Outlier 379.40 ± 5.00 K NIST
Tboil 374.00 ± 5.00 K NIST
Tboil 375.00 ± 3.00 K NIST
Tboil 375.00 ± 3.00 K NIST
Tboil 373.30 ± 1.50 K NIST
Tboil 374.00 ± 3.00 K NIST
Tboil 376.00 ± 5.00 K NIST
Tboil 374.00 ± 5.00 K NIST
Tboil 375.00 ± 5.00 K NIST
Tc [572.10; 574.70] K Show Hide
Tc 572.10 ± 0.20 K NIST
Tc 572.10 K NIST
Tc 572.20 ± 0.57 K NIST
Tc 572.12 ± 0.20 K NIST
Tc 572.12 ± 0.20 K NIST
Tc 573.20 ± 2.00 K NIST
Tc 572.70 ± 0.60 K NIST
Tc 572.28 ± 0.05 K NIST
Tc Outlier 574.70 ± 2.00 K NIST
Tfus [144.00; 147.00] K Show Hide
Tfus 146.55 K NIST
Tfus 146.65 K NIST
Tfus 146.55 ± 0.05 K NIST
Tfus 146.81 ± 0.15 K NIST
Tfus 146.55 ± 0.01 K NIST
Tfus 146.67 ± 0.10 K NIST
Tfus Outlier 144.00 ± 4.00 K NIST
Tfus 146.75 ± 0.30 K NIST
Tfus 146.75 ± 1.50 K NIST
Tfus 147.00 ± 2.00 K NIST
Tfus 146.85 ± 0.40 K NIST
Tfus 146.30 ± 1.00 K NIST
Tfus 146.20 ± 2.00 K NIST
Tfus 146.30 ± 0.10 K NIST
Tfus 146.80 ± 0.50 K NIST
Tfus 146.75 ± 0.30 K NIST
Ttriple 146.58 ± 0.05 K NIST
Ttriple 146.57 ± 0.08 K NIST
Vc 0.369 m3/kg-mol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [180.75; 241.90] J/mol×K [390.00; 527.00] Show Hide
Plot of Ideal gas heat capacity.
Cp,gas 180.75 J/mol×K 390.0 NIST
Cp,gas 184.60 ± 1.70 J/mol×K 398.0 NIST
Cp,gas 189.12 J/mol×K 410.0 NIST
Cp,gas 203.40 ± 2.10 J/mol×K 439.0 NIST
Cp,gas 222.80 ± 2.10 J/mol×K 480.0 NIST
Cp,gas 241.90 ± 2.50 J/mol×K 527.0 NIST
Cp,liquid [182.00; 185.29] J/mol×K [294.20; 298.15] Show Hide
Plot of Liquid phase heat capacity.
Cp,liquid 182.00 J/mol×K 294.2 NIST
Cp,liquid 185.27 J/mol×K 298.055 NIST
Cp,liquid 184.38 J/mol×K 298.15 NIST
Cp,liquid 184.96 J/mol×K 298.15 NIST
Cp,liquid 185.29 J/mol×K 298.15 NIST
Cp,liquid 184.80 J/mol×K 298.15 NIST
Cp,liquid 184.84 J/mol×K 298.15 NIST
Cp,liquid 184.51 J/mol×K 298.15 NIST
η 0.0002778 Pa×s 379.11 Joback Calculated Property
ΔfusH [6.67; 6.75] kJ/mol [146.20; 146.60] Show Hide
ΔfusH 6.67 kJ/mol 146.2 NIST
ΔfusH 6.75 kJ/mol 146.58 NIST
ΔfusH 6.69 kJ/mol 146.6 NIST
ΔfusH 6.75 kJ/mol 146.6 NIST
ΔvapH [23.40; 36.20] kJ/mol [310.50; 537.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 36.10 kJ/mol 310.5 NIST
ΔvapH 34.60 ± 0.10 kJ/mol 313.0 NIST
ΔvapH 36.20 kJ/mol 314.0 NIST
ΔvapH 33.50 ± 0.10 kJ/mol 333.0 NIST
ΔvapH 34.90 kJ/mol 337.0 NIST
ΔvapH 34.60 kJ/mol 338.0 NIST
ΔvapH 33.80 kJ/mol 349.5 NIST
ΔvapH 32.20 kJ/mol 353.0 NIST
ΔvapH 32.50 ± 0.10 kJ/mol 353.0 NIST
ΔvapH 31.80 kJ/mol 374.0 NIST
ΔvapH 31.27 kJ/mol 374.1 NIST
ΔvapH 29.90 kJ/mol 393.0 NIST
ΔvapH 26.90 kJ/mol 433.0 NIST
ΔvapH 32.30 kJ/mol 442.0 NIST
ΔvapH 23.40 kJ/mol 473.0 NIST
ΔvapH 31.20 kJ/mol 537.0 NIST
ΔfusS 45.14 J/mol×K 146.2 NIST
ΔfusS 46.05 J/mol×K 146.58 NIST

Molecular Descriptors

Joback and Reid Groups
-CH3 1
>CH- (ring) 1
-CH2- (ring) 5

Similar Compounds

Cyclohexane, 1,4-dimethyl-. 1,4-Dimethylcyclohexane. Cyclohexane, 1,4-dimethyl-, trans-. Cyclohexane, 1,4-dimethyl-, cis-. (S)-3-methylheptane. Heptane, 3-methyl-. Cyclohexane, 1,3,5-trimethyl-. cis-1,3,5-Trimethylcyclohexene. cis,cis,cis-1.3.5-Trimethylcyclohexane. trans-1,3,5-Trimethylcyclohexene. Cyclohexane, ethyl-. Cyclohexane, propyl-. Cyclohexane, butyl-. Cyclohexane, 1,3,5-trimethyl-, (1«alpha»,3«alpha»,5«alpha»)-. Cyclohexane, 1,3-dimethyl-, cis-.

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