Chemical Properties of Cyclohexanone, 4-(1,1-dimethylethyl)-2-(1-methylethyl)-, cis-

Cyclohexanone, 4-(1,1-dimethylethyl)-2-(1-methylethyl)-, cis-

InChI
InChI=1S/C13H24O/c1-9(2)11-8-10(13(3,4)5)6-7-12(11)14/h9-11H,6-8H2,1-5H3/t10-,11+/m1/s1
InChI Key
INDSELFFLOGICC-MNOVXSKESA-N
Formula
C13H24O
SMILES
CC(C)[C@@H]1C[C@H](C(C)(C)C)CCC1=O
Molecular Weight1
196.33
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Physical Properties

Property Value Unit Source
ΔfusH° 10.90 kJ/mol Joback Calculated Property
IE 9.11 eV Relay (1.0) Calculated Property
logPoct/wat 3.674 Crippen Calculated Property
McVol 184.740 ml/mol McGowan Calculated Property
Tfus 314.21 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [250.00; 682.88] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-5.83200e+01
Coefficient B1.29790e+00
Coefficient C-6.40000e-04
Coefficient D8.33000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 250.00 J/mol×K 273.00 Calculated Property
Cp,gas 324.43 J/mol×K 353.78 Calculated Property
Cp,gas 391.67 J/mol×K 434.56 Calculated Property
Cp,gas 451.97 J/mol×K 515.33 Calculated Property
Cp,gas 505.59 J/mol×K 596.11 Calculated Property
Cp,gas 552.81 J/mol×K 676.89 Calculated Property
Cp,gas 593.89 J/mol×K 757.67 Calculated Property
Cp,gas 629.08 J/mol×K 838.44 Calculated Property
Cp,gas 658.66 J/mol×K 919.22 Calculated Property
Cp,gas 682.88 J/mol×K 1000.00 Calculated Property

Similar Compounds

trans-2-Isopropyl-4-t-butylcyclohexanone. trans-2-Ethyl-4-tert-butylcyclohexanone. Cyclohexanone, 4-(1,1-dimethylethyl)-2-ethyl-, cis-. Cyclohexanone, 2,4-bis(1,1-dimethylethyl)-, cis-. trans-2,4-Di-t-butylcyclohexanone. Cyclohexane, 1-hexylcarbonyl-4-(1,1-dimethylethyl), # 2. Cyclohexane, 1-hexylcarbonyl-4-(1,1-dimethylethyl), # 1. Cholestan-6-one, (5.alpha.)-. 22-Ketocholest-3-one. 4,8-Dimethylbicyclo[3.3.1]nonane-2,6-dione. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S-cis)-. Bisabol-1-one. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-cis)-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-.

Find more compounds similar to Cyclohexanone, 4-(1,1-dimethylethyl)-2-(1-methylethyl)-, cis-.

Sources

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