Chemical Properties of Cyclohexene, 1,6,6-trimethyl- (CAS 69745-49-9)

Cyclohexene, 1,6,6-trimethyl-

InChI
InChI=1S/C9H16/c1-8-6-4-5-7-9(8,2)3/h6H,4-5,7H2,1-3H3
InChI Key
UBMLKGCOROJNMF-UHFFFAOYSA-N
Formula
C9H16
SMILES
CC1=CCCCC1(C)C
Molecular Weight1
124.22
CAS
69745-49-9
Other Names
  • 2,3,3-Trimethylcyclohexene
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Physical Properties

Property Value Unit Source
ΔfH°gas -92.82 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 5.44 kJ/mol Joback Calculated Property
ΔvapH° 41.73 kJ/mol Relay (1.0) Calculated Property
IE 8.59 eV Relay (1.0) Calculated Property
log10WS -3.78 Relay (1.0) Calculated Property
logPoct/wat 3.143 Crippen Calculated Property
McVol 122.510 ml/mol McGowan Calculated Property
Pc 3049.04 kPa Joback Calculated Property
Tboil 420.00 ± 0.30 K NIST
Tc 621.53 K Relay (1.0) Calculated Property
Tfus 200.17 ± 0.30 K NIST
Vc 0.431 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [244.07; 333.12] J/mol×K [429.25; 640.93] Show Hide
Cp,gas 244.07 J/mol×K 429.25 Joback Calculated Property
Cp,gas 261.48 J/mol×K 464.53 Joback Calculated Property
Cp,gas 277.72 J/mol×K 499.81 Joback Calculated Property
Cp,gas 292.91 J/mol×K 535.09 Joback Calculated Property
Cp,gas 307.14 J/mol×K 570.37 Joback Calculated Property
Cp,gas 320.51 J/mol×K 605.65 Joback Calculated Property
Cp,gas 333.12 J/mol×K 640.93 Joback Calculated Property

Similar Compounds

2H-2,4a-Ethanonaphthalene, 1,3,4,5,6,7-hexahydro-2,5,5-trimethyl-. 1,4«alpha»-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-naphthalene. (Z)-2-Pentene, 3,4,4-trimethyl. «alpha»-Clovene. 1,3a-Ethano-3aH-indene, 1,2,3,6,7,7a-hexahydro-2,2,4,7a-tetramethyl-, [1R-(1«alpha»,3a«alpha»,7a«alpha»)]-. «alpha»-Neoclovene. Cyclohexene, 1,5-dimethyl-5-(1-methylethenyl). Isobazzanene. 4-(1,2-Dimethyl-cyclopent-2-enyl)-butan-2-one. Cyclohexene, 1,4-dimethyl-4-(1-methylethenyl). Spiro[5.5]undeca-1,8-diene, 1,5,5,9-tetramethyl-, (R)-. 1,1,4-trimethylcycloheptene. 1,4,4-trimethylcycloheptene. «alpha»-pseudowiddrene. 1,4,4,7-tetramethylcycloheptene.

Find more compounds similar to Cyclohexene, 1,6,6-trimethyl-.

Sources

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