Chemical Properties of 3-Octenoic acid, butyl ester

3-Octenoic acid, butyl ester

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InChI
InChI=1S/C12H22O2/c1-3-5-7-8-9-10-12(13)14-11-6-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+
InChI Key
FXVJXUOWNYRTMM-CMDGGOBGSA-N
Formula
C12H22O2
SMILES
CCCCC=CCC(=O)OCCCC
Molecular Weight1
198.30
Sources

Physical Properties

Property Value Unit Source
Δf -103.54 kJ/mol Joback Calculated Property
Δfgas -418.59 kJ/mol Joback Calculated Property
Δfus 29.82 kJ/mol Joback Calculated Property
Δvap 51.42 kJ/mol Joback Calculated Property
logPoct/wat 3.47 Crippen Calculated Property
Pc 1937.24 kPa Joback Calculated Property
Tboil 554.41 K Joback Calculated Property
Tc 730.90 K Joback Calculated Property
Tfus 292.08 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 445.74 J/mol×K 554.41 Joback Calculated Property
η 0.00 Pa×s 554.41 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 7
>C=O (nonring) 1
=CH- 2
-CH3 2

Similar Compounds

3-Octenoic acid, pentyl ester. butyl (E)-3-hexenoate. 3-Hexenoic acid, butyl ester, (Z)-. 3-Octenoic acid, heptyl ester. 3-Octenoic acid, pentadecyl ester. 3-Octenoic acid, tridecyl ester. 3-Octenoic acid, heptadecyl ester. 3-Octenoic acid, dodecyl ester. 3-Octenoic acid, decyl ester. 3-Octenoic acid, octadecyl ester. 3-Octenoic acid, octyl ester. 3-Octenoic acid, undecyl ester. 3-Octenoic acid, nonyl ester. 3-Octenoic acid, hexadecyl ester. Dibutyl 2-butenedioate, cis.

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