Chemical Properties of 3-(Methoxycarbonyl)-2-cycloheptenone (CAS 42205-57-2)

3-(Methoxycarbonyl)-2-cycloheptenone

InChI
InChI=1S/C9H12O3/c1-12-9(11)7-4-2-3-5-8(10)6-7/h6H,2-5H2,1H3
InChI Key
GDTPFKPPIYKGSI-UHFFFAOYSA-N
Formula
C9H12O3
SMILES
COC(=O)C1=CC(=O)CCCC1
Molecular Weight1
168.19
CAS
42205-57-2
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Physical Properties

Property Value Unit Source
ΔfusH° 12.44 kJ/mol Joback Calculated Property
log10WS -1.48 Relay (1.0) Calculated Property
logPoct/wat 1.229 Crippen Calculated Property
McVol 131.520 ml/mol McGowan Calculated Property
Tboil 534.92 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, 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 [314.51; 395.88] J/mol×K [564.19; 796.54] Show Hide
Cp,gas 314.51 J/mol×K 564.19 Joback Calculated Property
Cp,gas 330.39 J/mol×K 602.91 Joback Calculated Property
Cp,gas 345.38 J/mol×K 641.64 Joback Calculated Property
Cp,gas 359.45 J/mol×K 680.36 Joback Calculated Property
Cp,gas 372.58 J/mol×K 719.09 Joback Calculated Property
Cp,gas 384.73 J/mol×K 757.81 Joback Calculated Property
Cp,gas 395.88 J/mol×K 796.54 Joback Calculated Property

Similar Compounds

3-(Methoxycarbonyl)-3-cyclooctenone. 1-Cycloheptene-1-carboxylic acid, 6-oxo-, methyl ester. Methyl 1-cyclohexene-1-carboxylate. 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*)]-. Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate. 1-Cyclopentene-1-carboxylic acid, methyl ester. 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. (9Z,12Z)-(E)-3,7-Dimethylocta-2,6-dien-1-yl octadeca-9,12-dienoate. Methyl trans-2,3,3a,7a-tetrahydro-1H-indene-4-carboxylate.

Find more compounds similar to 3-(Methoxycarbonyl)-2-cycloheptenone.

Sources

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