Chemical Properties of 1-Cycloheptene-1-carboxylic acid, 6-oxo-, methyl ester (CAS 42205-56-1)

1-Cycloheptene-1-carboxylic acid, 6-oxo-, methyl ester

InChI
InChI=1S/C9H12O3/c1-12-9(11)7-4-2-3-5-8(10)6-7/h4H,2-3,5-6H2,1H3
InChI Key
OYDFMULXKLIRIL-UHFFFAOYSA-N
Formula
C9H12O3
SMILES
COC(=O)C1=CCCCC(=O)C1
Molecular Weight1
168.19
CAS
42205-56-1
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Physical Properties

Property Value Unit Source
ω 0.4391 Relay (1.0) Calculated Property
ΔfG° -291.22 kJ/mol Joback Calculated Property
ΔfH°gas -465.59 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 10.86 kJ/mol Joback Calculated Property
ΔvapH° 64.73 kJ/mol Relay (1.0) Calculated Property
IE 9.33 eV Relay (1.0) Calculated Property
log10WS -1.25 Relay (1.0) Calculated Property
logPoct/wat 1.229 Crippen Calculated Property
McVol 131.520 ml/mol McGowan Calculated Property
Pc 3392.03 kPa Joback Calculated Property
Tboil 522.97 K Relay (1.0) Calculated Property
Tc 731.73 K Relay (1.0) Calculated Property
Tfus 344.55 K Relay (1.0) Calculated Property
Vc 0.441 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [318.77; 398.75] J/mol×K [582.06; 816.73] Show Hide
Cp,gas 318.77 J/mol×K 582.06 Joback Calculated Property
Cp,gas 334.33 J/mol×K 621.17 Joback Calculated Property
Cp,gas 349.05 J/mol×K 660.28 Joback Calculated Property
Cp,gas 362.88 J/mol×K 699.40 Joback Calculated Property
Cp,gas 375.80 J/mol×K 738.51 Joback Calculated Property
Cp,gas 387.76 J/mol×K 777.62 Joback Calculated Property
Cp,gas 398.75 J/mol×K 816.73 Joback Calculated Property

Similar Compounds

3-(Methoxycarbonyl)-2-cycloheptenone. Methyl 1-cyclohexene-1-carboxylate. 3-(Methoxycarbonyl)-3-cyclooctenone. 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, [R-(R*,R*)]-. 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxo-4-hexenyl)-, methyl ester, [R-(R*,R*)]-. 1-Cyclopentene-1-carboxylic acid, methyl ester. Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate. Methylmyrtenate. 1-Cyclohexene-1-carboxylic acid. 2-Octenoic acid, 2-butyl. Methyl (E)-trans-«alpha»-bergamota-2,10-dien-12-oate. Dimethyl (Z)-2-n-hexyl-3-methylbutendioate. Methyldavanate. Myrtenyl angelate. (2E,6E)-Methyl-3,7,11-trimethyl-10-oxododecadienoate.

Find more compounds similar to 1-Cycloheptene-1-carboxylic acid, 6-oxo-, methyl ester.

Sources

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