Chemical Properties of isobutyl 5-octenoate

isobutyl 5-octenoate

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InChI
InChI=1S/C12H22O2/c1-4-5-6-7-8-9-12(13)14-10-11(2)3/h5-6,11H,4,7-10H2,1-3H3/b6-5+
InChI Key
UWWWGFJWQKVPGQ-AATRIKPKSA-N
Formula
C12H22O2
SMILES
CCC=CCCCC(=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
-O- (nonring) 1
>CH- 1
-CH3 3
-CH2- 5
=CH- 2
>C=O (nonring) 1

Similar Compounds

isobutyl 5-hexenoate. butyl 5-octenoate. ethyl 5-octenoate. Ethyl (Z)-5-octenoate. Isobutyl 8-methylnon-6-enoate. Sebacic acid, cis-11-tetradecenyl isobutyl ester. Pentanoic acid, 2-methylpropyl ester. 5,8,11,14-Eicosatetraenoic acid, ethyl ester. Adipic acid, dec-4-enyl isobutyl ester. Isobutyl (E)-7,9-decadienoate. Adipic acid, isobutyl tetradec-11-enyl ester. Sebacic acid, dec-4-enyl isobutyl ester. Isopropyl (Z)-5-dodecenoate. Isopropyl (E)-5-dodecenoate. Hex-5-enoic acid, ethyl ester.

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