Chemical Properties of 3-Octenoic acid, isobutyl ester

3-Octenoic acid, isobutyl ester

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InChI
InChI=1S/C12H22O2/c1-4-5-6-7-8-9-12(13)14-10-11(2)3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7+
InChI Key
BXLSKVVHVVMXOV-BQYQJAHWSA-N
Formula
C12H22O2
SMILES
CCCCC=CCC(=O)OCC(C)C
Molecular Weight1
198.30
Sources

Physical Properties

Property Value Unit Source
Δf -105.98 kJ/mol Joback Calculated Property
Δfgas -423.87 kJ/mol Joback Calculated Property
Δfus 26.30 kJ/mol Joback Calculated Property
Δvap 51.03 kJ/mol Joback Calculated Property
logPoct/wat 3.32 Crippen Calculated Property
Pc 1950.95 kPa Joback Calculated Property
Tboil 553.97 K Joback Calculated Property
Tc 733.78 K Joback Calculated Property
Tfus 277.08 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 446.03 J/mol×K 553.97 Joback Calculated Property
η 0.00 Pa×s 553.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
-CH2- 5
=CH- 2
-CH3 3

Similar Compounds

3-Octenoic acid, butyl ester. 3-Octenoic acid, ethyl ester. 3-Octenoic acid, ethyl ester, (Z)-. 3-Pentenoic acid 2-methylpropyl ester. 3-Octenoic acid, pentyl ester. ethyl (E)-3-decenoate. ethyl 3-decenoate. (E)-3-hexenyl (Z)-3-hexenoate. (Z)-hex-3-enyl (Z)-hex-3-enoate. 3-Octenoic acid, heptyl ester. 3-Octenoic acid, dodecyl ester. 3-Octenoic acid, nonyl ester. 3-Octenoic acid, decyl ester. 3-Octenoic acid, undecyl ester. 3-Octenoic acid, tridecyl ester.

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