Chemical Properties of 4-oxo- .beta.-cyclocitral

4-oxo- .beta.-cyclocitral

InChI
InChI=1S/C9H12O2/c1-9(2)4-3-8(11)5-7(9)6-10/h5-6H,3-4H2,1-2H3
InChI Key
AODZASMSAIPDLQ-UHFFFAOYSA-N
Formula
C9H12O2
SMILES
CC1(C)CCC(=O)C=C1C=O
Molecular Weight1
152.19
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Physical Properties

Property Value Unit Source
ΔfusH° 7.24 kJ/mol Joback Calculated Property
IE 9.65 eV Relay (1.0) Calculated Property
logPoct/wat 1.501 Crippen Calculated Property
McVol 125.650 ml/mol McGowan Calculated Property
I 1951.00 NIST
Tboil 510.69 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [295.40; 371.94] J/mol×K [545.73; 779.26] Show Hide
Cp,gas 295.40 J/mol×K 545.73 Joback Calculated Property
Cp,gas 309.96 J/mol×K 584.65 Joback Calculated Property
Cp,gas 323.66 J/mol×K 623.57 Joback Calculated Property
Cp,gas 336.62 J/mol×K 662.49 Joback Calculated Property
Cp,gas 348.92 J/mol×K 701.41 Joback Calculated Property
Cp,gas 360.66 J/mol×K 740.34 Joback Calculated Property
Cp,gas 371.94 J/mol×K 779.26 Joback Calculated Property

Similar Compounds

2-Cyclohexen-1-one, 3,4,4-trimethyl-. 2-Cyclohexen-1-one, 4-ethyl-3,4-dimethyl-. (R)-(-)-4,4a,5,6,7,8-Hexahydro-4a-methyl-2(3H)-naphthalenone. 2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro-4a-methyl-. 2,6,6-trimethyl-3-oxo-1-cyclohexene-1-carboxaldehyde. 11,12,13-tri-nor-cis-Eudesm-5-en-7-one. (4aS,8R)-4a,8-Dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one. 9-(S)-Methyl-«delta»-5(10)-octalin-1,6-dione. 4,4,7a-Trimethyl-1,4,5,6,7,7a-hexahydro-2H-inden-2-one. 1,2,3,4,5,6-Hexahydro-1,1,5,5-tetramethyl-2,4a-methanonaphthalen-7(4aH)-one. 2,4a-Methanonaphthalen-7(4aH)-one, 1,2,3,4,5,6-hexahydro-1,1,5,5-tetramethyl-, (2s-cis)-. «gamma»-Sitostenone. Stigmast-4-en-3-one. 4-Pregnen-3-one. 3-OXO-7,8-DIHYDRO-ALPHA-IONONE.

Find more compounds similar to 4-oxo- .beta.-cyclocitral.

Sources

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