Chemical Properties of 2-Heptenoic acid, butyl ester

2-Heptenoic acid, butyl ester

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InChI
InChI=1S/C11H20O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h8-9H,3-7,10H2,1-2H3/b9-8+
InChI Key
MWCHBSQCJMCJEN-CMDGGOBGSA-N
Formula
C11H20O2
SMILES
CCCCC=CC(=O)OCCCC
Molecular Weight1
184.28
Sources

Physical Properties

Property Value Unit Source
Δf -111.96 kJ/mol Joback Calculated Property
Δfgas -397.95 kJ/mol Joback Calculated Property
Δfus 27.23 kJ/mol Joback Calculated Property
Δvap 49.19 kJ/mol Joback Calculated Property
logPoct/wat 3.08 Crippen Calculated Property
Pc 2111.94 kPa Joback Calculated Property
Tboil 531.53 K Joback Calculated Property
Tc 709.61 K Joback Calculated Property
Tfus 280.81 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 397.35 J/mol×K 531.53 Joback Calculated Property
η 0.00 Pa×s 531.53 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 6
>C=O (nonring) 1
=CH- 2
-CH3 2

Similar Compounds

2-Octenoic acid, butyl ester. butyl cis-2-octenoate. butyl trans-2-octenoate. 2-Heptenoic acid, pentyl ester. butyl trans-2-nonenoate. 2-Hexenoic acid, butyl ester, (e)-. 2-Heptenoic acid, hexyl ester. 2-Heptenoic acid, heptyl ester. 2-Heptenoic acid, dodecyl ester. 2-Heptenoic acid, heptadecyl ester. 2-Heptenoic acid, nonyl ester. 2-Heptenoic acid, hexadecyl ester. 2-Heptenoic acid, tetradecyl ester. 2-Heptenoic acid, octyl ester. 2-Heptenoic acid, undecyl ester.

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