Chemical Properties of 3-(Methoxycarbonyl)-3-cyclooctenone (CAS 17606-95-0)

3-(Methoxycarbonyl)-3-cyclooctenone

InChI
InChI=1S/C10H14O3/c1-13-10(12)8-5-3-2-4-6-9(11)7-8/h7H,2-6H2,1H3/b8-7+
InChI Key
HVNCTECESWBWRG-BQYQJAHWSA-N
Formula
C10H14O3
SMILES
COC(=O)C1=CC(=O)CCCCC1
Molecular Weight1
182.22
CAS
17606-95-0
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Physical Properties

Property Value Unit Source
ΔfH°gas -521.16 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 12.93 kJ/mol Joback Calculated Property
log10WS -1.90 Relay (1.0) Calculated Property
logPoct/wat 1.619 Crippen Calculated Property
McVol 145.610 ml/mol McGowan Calculated Property
Tboil 548.73 K Relay (1.0) Calculated Property
Tfus 314.99 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [363.68; 452.96] J/mol×K [591.34; 827.29] Show Hide
Cp,gas 363.68 J/mol×K 591.34 Joback Calculated Property
Cp,gas 381.35 J/mol×K 630.67 Joback Calculated Property
Cp,gas 397.95 J/mol×K 669.99 Joback Calculated Property
Cp,gas 413.45 J/mol×K 709.32 Joback Calculated Property
Cp,gas 427.81 J/mol×K 748.64 Joback Calculated Property
Cp,gas 440.99 J/mol×K 787.97 Joback Calculated Property
Cp,gas 452.96 J/mol×K 827.29 Joback Calculated Property

Similar Compounds

3-(Methoxycarbonyl)-2-cycloheptenone. Methyl 1-cyclohexene-1-carboxylate. 1-Cycloheptene-1-carboxylic acid, 6-oxo-, methyl ester. 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxo-4-hexenyl)-, methyl ester, [R-(R*,R*)]-. 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, [R-(R*,R*)]-. 1-Cyclopentene-1-carboxylic acid, methyl ester. Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate. Dimethyl (Z)-2-n-hexyl-3-methylbutendioate. Methylmyrtenate. 3-Methyl-dec-2-enedioic acid dimethyl ester, E. 1-Cyclohexene-1-carboxylic acid. 2-Octenoic acid, 2-butyl. Myrtenyl angelate. 3-Methyl-non-2-enedioic acid dimethyl ester, Z. 3-Methyl-non-2-enedioic acid dimethyl ester, E.

Find more compounds similar to 3-(Methoxycarbonyl)-3-cyclooctenone.

Sources

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