Chemical Properties of 3,3-dimethylcyclohexanone (CAS 2979-19-3)

3,3-dimethylcyclohexanone

InChI
InChI=1S/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3
InChI Key
ZVJQBBYAVPAFLX-UHFFFAOYSA-N
Formula
C8H14O
SMILES
CC1(C)CCCC(=O)C1
Molecular Weight1
126.20
CAS
2979-19-3
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Physical Properties

Property Value Unit Source
ΔfH°gas -283.01 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 1.52 kJ/mol Joback Calculated Property
IE 9.27 eV Relay (1.0) Calculated Property
logPoct/wat 2.156 Crippen Calculated Property
McVol 114.290 ml/mol McGowan Calculated Property
Inp 1036.00 NIST
Tfus 297.64 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [247.36; 336.13] J/mol×K [470.05; 700.41] Show Hide
Cp,gas 247.36 J/mol×K 470.05 Joback Calculated Property
Cp,gas 264.46 J/mol×K 508.44 Joback Calculated Property
Cp,gas 280.52 J/mol×K 546.84 Joback Calculated Property
Cp,gas 295.62 J/mol×K 585.23 Joback Calculated Property
Cp,gas 309.86 J/mol×K 623.62 Joback Calculated Property
Cp,gas 323.33 J/mol×K 662.01 Joback Calculated Property
Cp,gas 336.13 J/mol×K 700.41 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [335.12; 474.87] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.49459e+01
Coefficient B-3.92833e+03
Coefficient C-6.71260e+01
Temperature range, min.335.12
Temperature range, max.474.87
Pvap 1.33 kPa 335.12 Calculated Property
Pvap 2.98 kPa 350.65 Calculated Property
Pvap 6.11 kPa 366.18 Calculated Property
Pvap 11.68 kPa 381.70 Calculated Property
Pvap 21.02 kPa 397.23 Calculated Property
Pvap 35.88 kPa 412.76 Calculated Property
Pvap 58.49 kPa 428.29 Calculated Property
Pvap 91.58 kPa 443.81 Calculated Property
Pvap 138.40 kPa 459.34 Calculated Property
Pvap 202.66 kPa 474.87 Calculated Property

Similar Compounds

SPIRO[4.5]DECAN-2-ONE. Cyclohexanone, 2,2-dimethyl-. Cyclohexanone, 3-(3,3-dimethylbutyl)-. Cyclohexanone, 3,3,5-trimethyl-. 2(1H)-Naphthalenone, octahydro-8a-methyl-, trans-. 6,6,10-Trimethyldecal-2-one. 3,3-Dimethyl-2,7-octanedione. 1-t-Butyl-2-hexanone. Cyclohexanone, 3-methyl-, (S)-. Cyclohexanone, 3-methyl-. Cyclohexanone, 3-methyl-, (R)-. 1,3-Cyclohexanedione, 4,4-dimethyl-. Cyclohexanone, 4-(1,1-dimethylethyl)-. Cyclohexanone, 4-(1,1-dimethylpropyl)-. 1-Cyclohexanone, 2-methyl-2-(3-methyl-2-oxobutyl).

Find more compounds similar to 3,3-dimethylcyclohexanone.

Sources

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