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

3-(Methoxycarbonyl)-3-cyclooctenone

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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
Sources

Physical Properties

Property Value Unit Source
Δf -294.90 kJ/mol Joback Calculated Property
Δfgas -523.58 kJ/mol Joback Calculated Property
Δfus 11.35 kJ/mol Joback Calculated Property
Δvap 53.29 kJ/mol Joback Calculated Property
logPoct/wat 1.619 Crippen Calculated Property
Pc 3127.99 kPa Joback Calculated Property
Tboil 609.21 K Joback Calculated Property
Tc 847.27 K Joback Calculated Property
Tfus 360.70 K Joback Calculated Property
Vc 0.530 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 368.62 J/mol×K 609.21 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 1
=C< (ring) 1
>C=O (nonring) 1
-CH2- (ring) 5
>C=O (ring) 1

Similar Compounds

3-(Methoxycarbonyl)-2-cycloheptenone. Dimethyl (Z)-2-n-hexyl-3-methylbutendioate. 1-Cycloheptene-1-carboxylic acid, 6-oxo-, methyl ester. Methyl 1-cyclohexene-1-carboxylate. Dehydrojuvabione. Juvabione. 1-Cyclohexene-1,2-dicarboxylic anhydride. Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate. 1-Cyclopentene-1-carboxylic acid, methyl ester. 2-Octenoic acid, 2-butyl. 3-Methyl-dec-2-enedioic acid dimethyl ester, E. 1-Cyclohexene-1-carboxylic acid. Cyclohexanehexanoic acid, e,2-dioxo-, methyl ester. Methyl-.beta.-Cyclogeranate. Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate.

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