Chemical Properties of Cyclohexanone, 2,2-dimethyl- (CAS 1193-47-1)

Cyclohexanone, 2,2-dimethyl-

InChI
InChI=1S/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3
InChI Key
KNSPBSQWRKKAPI-UHFFFAOYSA-N
Formula
C8H14O
SMILES
CC1(C)CCCCC1=O
Molecular Weight1
126.20
CAS
1193-47-1
Other Names
  • 2,2-Dimethyl-1-cyclohexanone
  • 2,2-Dimethylcyclohexanone
  • 6,6-Dimethylcyclohexanone
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -267.97 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 1.52 kJ/mol Joback Calculated Property
IE 9.02 eV Relay (1.0) Calculated Property
logPoct/wat 2.156 Crippen Calculated Property
McVol 114.290 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 337.20 K 2.40 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [328.72; 477.21] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.42371e+01
Coefficient B-3.68015e+03
Coefficient C-6.49020e+01
Temperature range, min.328.72
Temperature range, max.477.21
Pvap 1.33 kPa 328.72 Calculated Property
Pvap 3.03 kPa 345.22 Calculated Property
Pvap 6.29 kPa 361.72 Calculated Property
Pvap 12.08 kPa 378.22 Calculated Property
Pvap 21.73 kPa 394.72 Calculated Property
Pvap 36.98 kPa 411.21 Calculated Property
Pvap 59.96 kPa 427.71 Calculated Property
Pvap 93.22 kPa 444.21 Calculated Property
Pvap 139.68 kPa 460.71 Calculated Property
Pvap 202.64 kPa 477.21 Calculated Property

Similar Compounds

3,3-Dimethyl-2,7-octanedione. Cyclopentanone, 2,2-dimethyl-. 1,3-Cyclohexanedione, 4,4-dimethyl-. Ethanone, 1-(1-methylcyclohexyl)-. 2,2,6,6,-Tetramethylcyclohexanone. 3,3-dimethylcyclohexanone. 1-Cyclohexanone, 2-methyl-2-(3-methyl-2-oxobutyl). propyl-(1-adamantyl) ketone. 2-Hexanone, 3,3-dimethyl-. Cyclohexanone, 2,2,6-trimethyl-. 1-(1,2,2-Trimethylcyclopent-1-yl)-pentan-1,4-dione. 1-Methylnorcamphor. Bicyclo[2.2.1]heptan-2-one, 1-methyl. 2(1H)-Naphthalenone, octahydro-1,1,4a-trimethyl-, trans-. Cyclopentanone, 2-pentyl-3-(2-oxopropyl).

Find more compounds similar to Cyclohexanone, 2,2-dimethyl-.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.