Chemical Properties of 2-Cyclohexen-1-one, 3-methyl- (CAS 1193-18-6)

2-Cyclohexen-1-one, 3-methyl-

InChI
InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3
InChI Key
IITQJMYAYSNIMI-UHFFFAOYSA-N
Formula
C7H10O
SMILES
CC1=CC(=O)CCC1
Molecular Weight1
110.15
CAS
1193-18-6
Other Names
  • 3-Methyl-2-cyclohexen-1-one
  • 3-Methyl-2-cyclohexene-1-one
  • 3-Methyl-2-cyclohexenone
  • 3-methyl-2-cyclohexenone-1
  • 3-methylcyclohex-2-en-1-one
  • MCH
  • Methylcyclohexenone
  • Seudenone
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Physical Properties

Property Value Unit Source
ΔfusH° 4.99 kJ/mol Joback Calculated Property
IE 9.20 eV Relay (1.0) Calculated Property
log10WS -0.62 Relay (1.0) Calculated Property
logPoct/wat 1.686 Crippen Calculated Property
McVol 95.900 ml/mol McGowan Calculated Property
Inp [1010.00; 1039.00]   Show Hide
Inp 1039.00 NIST
Inp 1010.00 NIST
Inp 1011.00 NIST
Inp 1026.00 NIST
Inp 1026.00 NIST
Ip [1577.00; 1592.00]   Show Hide
Ip 1592.00 NIST
Ip 1579.00 NIST
Ip 1579.00 NIST
Ip 1592.00 NIST
Ip 1577.00 NIST
Ip 1583.00 NIST
Ip 1579.00 NIST
Ip 1592.00 NIST
Tboil [472.70; 474.20] K Show Hide
Tboil 472.70 K NIST
Tboil 474.20 K NIST
Tfus 252.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate 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 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.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 362.50 ± 1.50 K 2.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [116.04; 323.67] 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-1.65100e+01
Coefficient B5.33620e-01
Coefficient C-1.69640e-04
Coefficient D-2.38000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 116.04 J/mol×K 273.00 Calculated Property
Cp,gas 149.99 J/mol×K 353.78 Calculated Property
Cp,gas 181.39 J/mol×K 434.56 Calculated Property
Cp,gas 210.17 J/mol×K 515.33 Calculated Property
Cp,gas 236.26 J/mol×K 596.11 Calculated Property
Cp,gas 259.58 J/mol×K 676.89 Calculated Property
Cp,gas 280.06 J/mol×K 757.67 Calculated Property
Cp,gas 297.62 J/mol×K 838.44 Calculated Property
Cp,gas 312.18 J/mol×K 919.22 Calculated Property
Cp,gas 323.67 J/mol×K 1000.00 Calculated Property

Similar Compounds

4,8-Dimethylnona-3,8-dien-2-one. 2-Cyclohexen-1-one, 2-methyl-. 2-Cyclohexen-1-one, 3,5-dimethyl-. 1-Propanone, 1-(1-cyclohexen-1-yl)-. 2-Propanone, 1-cyclohexylidene-. 2-Cyclopenten-1-one, 3-ethyl-. 2-Propanone, 1-(1-cyclohexen-1-yl)-. Ethanone, 1-(1-cyclohexen-1-yl)-. 4-Butyl-cyclohexen-3-one. 4-Methyl-3-cyclohexen-1-one. 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-. 3-Methyl-3-cyclohexen-1-one. «gamma»-(E)-Atlantone. (Z)-«gamma»-Atlantone. 2-butyl cyclopent-2-en-1 -one.

Find more compounds similar to 2-Cyclohexen-1-one, 3-methyl-.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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