Chemical Properties of Cyclohexane, 1,2-dimethyl-, trans- (CAS 6876-23-9)

Cyclohexane, 1,2-dimethyl-, trans-

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InChI
InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChI Key
KVZJLSYJROEPSQ-YUMQZZPRSA-N
Formula
C8H16
SMILES
CC1CCCCC1C
Molecular Weight1
112.21
CAS
6876-23-9
Other Names
  • 1,2-Dimethyl(trans)-cyclohexane
  • 1,2-Dimethylcyclohexane, trans-
  • 1,2-trans-Dimethylcyclohexane
  • 1,trans-2-Dimethylcyclohexane
  • Cyclohexane, trans-1,2-dimethyl-
  • NSC 74158
  • t-1,2-Dimethylcyclohexane
  • trans-1,2-Dimethylcyclohexane
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5216.50 ± 1.80 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 [38.30; 38.41] kJ/mol Show Hide
Δvap 38.41 kJ/mol NIST
Δvap 38.30 kJ/mol NIST
Δvap 38.40 kJ/mol NIST
Δvap 38.40 ± 0.10 kJ/mol NIST
Δvap 38.35 kJ/mol NIST
IE [9.41; 10.08] eV Show Hide
IE 9.41 eV NIST
IE 9.89 ± 0.05 eV NIST
IE 10.03 ± 0.05 eV NIST
IE 10.08 ± 0.03 eV NIST
logPoct/wat 2.83 Crippen Calculated Property
Pc 3038.96 kPa Joback Calculated Property
gas 371.33 J/mol×K NIST
liquid 273.22 J/mol×K NIST
Tboil [396.00; 417.20] K Show Hide
Tboil 396.70 K NIST
Tboil 396.60 K NIST
Tboil 397.00 ± 2.00 K NIST
Tboil 396.56 ± 0.20 K NIST
Tboil 397.00 ± 2.00 K NIST
Tboil 396.00 ± 1.50 K NIST
Tboil 396.15 ± 0.30 K NIST
Tboil 396.75 ± 0.50 K NIST
Tboil 396.85 ± 0.30 K NIST
Tboil 396.54 ± 0.25 K NIST
Tboil 396.54 ± 0.30 K NIST
Tboil 396.56 ± 0.02 K NIST
Tboil 396.57 ± 0.20 K NIST
Tboil 396.85 ± 0.30 K NIST
Tboil 396.85 ± 0.30 K NIST
Tboil 396.84 ± 0.30 K NIST
Tboil Outlier 417.20 ± 0.20 K NIST
Tboil 397.00 ± 3.00 K NIST
Tc 596.00 K NIST
Tfus [183.55; 184.97] K Show Hide
Tfus 183.75 ± 0.40 K NIST
Tfus 184.60 ± 0.50 K NIST
Tfus 184.97 ± 0.04 K NIST
Tfus 184.45 ± 0.20 K NIST
Tfus 184.86 ± 0.02 K NIST
Tfus 184.55 ± 0.50 K NIST
Tfus 183.55 ± 0.30 K NIST
Ttriple 184.99 ± 0.02 K NIST
Ttriple 184.98 ± 0.05 K NIST
Ttriple 184.99 ± 0.03 K NIST
Vc 0.42 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 209.41 J/mol×K 298.15 NIST
η 0.00 Pa×s 397.32 Joback Calculated Property
ΔfusH 10.49 kJ/mol 184.99 NIST
ΔfusH 10.50 kJ/mol 185.0 NIST
ΔfusH 10.50 kJ/mol 185.0 NIST
ΔvapH [32.96; 37.00] kJ/mol [357.50; 396.60] Show Hide
ΔvapH 37.00 kJ/mol 357.5 NIST
ΔvapH 34.40 ± 0.10 kJ/mol 373.0 NIST
ΔvapH 33.50 ± 0.10 kJ/mol 387.0 NIST
ΔvapH 32.96 kJ/mol 396.6 NIST
ΔfusS 56.72 J/mol×K 184.99 NIST

Molecular Descriptors

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

Similar Compounds

Cyclohexane, 1,2-dimethyl- (cis/trans). Cyclohexane, 1,2-dimethyl-, cis-. Naphthalene, decahydro-, cis-. 1-Methyl-2-propylcyclohexane, cis. Cyclohexane, 1-methyl-2-propyl-. Cyclohexane, 1-ethyl-2-propyl-. Cyclohexane, 1-ethyl-2-methyl-, trans-. Naphthalene, decahydro-, trans-. Cyclohexane, 1-ethyl-2-methyl-, cis-. Cyclohexane, 1-ethyl-2-methyl-. Naphthalene, decahydro-. 1-Methyl-2-propylcyclohexane, trans. 4,5-dimethyloctane, meso. 4,5-dimethyloctane, racemic. Octane, 4,5-dimethyl-.

Find more compounds similar to Cyclohexane, 1,2-dimethyl-, trans-.

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