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

3-(Methoxycarbonyl)-2-cycloheptenone

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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
Δf -291.22 kJ/mol Joback Calculated Property
Δfgas -496.78 kJ/mol Joback Calculated Property
Δfus 10.86 kJ/mol Joback Calculated Property
Δvap 50.89 kJ/mol Joback Calculated Property
log10WS -1.48 Crippen 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 582.06 K Joback Calculated Property
Tc 816.73 K Joback Calculated Property
Tfus 352.95 K Joback Calculated Property
Vc 0.482 m3/kmol Joback 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)-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 cis-2,3,3a,7a-tetrahydro-1H-indene-4-carboxylate.

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

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