Chemical Properties of Cyclohexane, 1,3-dimethyl-, trans- (CAS 2207-03-6)

Cyclohexane, 1,3-dimethyl-, trans-

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InChI
InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChI Key
SGVUHPSBDNVHKL-YUMQZZPRSA-N
Formula
C8H16
SMILES
CC1CCCC(C)C1
Molecular Weight1
112.21
CAS
2207-03-6
Other Names
  • 1,3(trans)-dimethylcyclohexane
  • 1,3-Dimethyl(trans)-cyclohexane
  • 1,3-Dimethylcyclohexane, trans
  • 1,trans-3-Dimethylcyclohexane
  • Cyclohexane, trans-1,3-dimethyl-
  • trans-1,3-Dimethylcyclohexane
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5219.00 ± 1.70 kJ/mol NIST
Δf 33.22 kJ/mol Joback Calculated Property
Δfgas -174.47 kJ/mol Joback Calculated Property
Δfus 9.38 kJ/mol Joback Calculated Property
Δvap [39.10; 39.21] kJ/mol Show Hide
Δvap 39.21 kJ/mol NIST
Δvap 39.10 kJ/mol NIST
Δvap 39.20 kJ/mol NIST
Δvap 39.20 ± 0.10 kJ/mol NIST
Δvap 39.19 kJ/mol NIST
IE [9.52; 9.89] eV Show Hide
IE 9.53 eV NIST
IE 9.52 ± 0.05 eV NIST
IE 9.53 eV NIST
IE 9.89 ± 0.05 eV NIST
logPoct/wat 2.833 Crippen Calculated Property
Pc 3038.96 kPa Joback Calculated Property
gas 376.39 J/mol×K NIST
liquid 276.27 J/mol×K NIST
Tboil [392.00; 397.65] K Show Hide
Tboil 397.60 K NIST
Tboil 393.45 ± 0.30 K NIST
Tboil 397.65 ± 0.50 K NIST
Tboil 397.60 ± 0.10 K NIST
Tboil 397.60 ± 0.02 K NIST
Tboil 397.60 ± 0.25 K NIST
Tboil 393.85 ± 0.30 K NIST
Tboil 396.65 ± 0.50 K NIST
Tboil 392.00 ± 3.00 K NIST
Tc 597.67 K Joback Calculated Property
Tfus 406.83 ± 0.06 K NIST
Tfus 179.76 ± 0.02 K NIST
Tfus 196.45 ± 0.50 K NIST
Ttriple 183.06 ± 0.02 K NIST
Ttriple 183.03 ± 0.05 K NIST
Ttriple 183.06 ± 0.02 K NIST
Vc 0.415 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 212.54 J/mol×K 397.32 Joback Calculated Property
Cp,liquid 212.84 J/mol×K 298.15 NIST
η 0.0002629 Pa×s 397.32 Joback Calculated Property
ΔfusH 9.87 kJ/mol 183.06 NIST
ΔfusH 9.87 kJ/mol 183.1 NIST
ΔfusH 9.87 kJ/mol 183.1 NIST
ΔvapH 37.40 kJ/mol 354.0 NIST
ΔvapH 37.90 kJ/mol 357.0 NIST
ΔvapH 33.39 kJ/mol 397.6 NIST
ΔfusS 53.89 J/mol×K 183.06 NIST

Molecular Descriptors

Joback and Reid Groups
-CH3 2
>CH- (ring) 2
-CH2- (ring) 4

Similar Compounds

Cyclohexane, 1,3,5-trimethyl-, (1«alpha»,3«alpha»,5«alpha»)-. trans-1,3,5-Trimethylcyclohexene. Cyclohexane, 1,3-dimethyl-. Cyclohexane, 1,3,5-trimethyl-, (1«alpha»,3«alpha»,5«beta»)-. Cyclohexane, 1,3,5-trimethyl-. cis,cis,cis-1.3.5-Trimethylcyclohexane. Cyclohexane, 1,3-dimethyl-, cis-. cis-1,3,5-Trimethylcyclohexene. Heptane, 2,4,6-trimethyl-. Heptane, 2,4-dimethyl-. Cyclohexane, 1,1'-methylenebis-. Cyclohexane, (2-decyldodecyl)-. Cyclohexane, 1-(cyclohexylmethyl)-3-methyl-, cis-. Cyclohexane, 1-(cyclohexylmethyl)-3-methyl-, trans-. cis-1-methyl-3-propylcyclohexane.

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