Chemical Properties of 4-Pentenoic acid, 2-methyl-, hexyl ester

4-Pentenoic acid, 2-methyl-, hexyl ester

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InChI
InChI=1S/C12H22O2/c1-4-6-7-8-10-14-12(13)11(3)9-5-2/h5,11H,2,4,6-10H2,1,3H3
InChI Key
GEDRGVNPMIOGRX-UHFFFAOYSA-N
Formula
C12H22O2
SMILES
C=CCC(C)C(=O)OCCCCCC
Molecular Weight1
198.30
Sources

Physical Properties

Property Value Unit Source
Δf -98.36 kJ/mol Joback Calculated Property
Δfgas -415.66 kJ/mol Joback Calculated Property
Δfus 24.82 kJ/mol Joback Calculated Property
Δvap 50.40 kJ/mol Joback Calculated Property
logPoct/wat 3.32 Crippen Calculated Property
Pc 1933.83 kPa Joback Calculated Property
Tboil 546.49 K Joback Calculated Property
Tc 722.36 K Joback Calculated Property
Tfus 280.40 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 444.62 J/mol×K 546.49 Joback Calculated Property
η 0.00 Pa×s 546.49 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Pentenoic acid, 2-methyl-, heptyl ester. 4-Pentenoic acid, 2-methyl-, pentyl ester. 4-Pentenoic acid, 2-methyl-, nonyl ester. 4-Pentenoic acid, 2-methyl-, octyl ester. 4-Pentenoic acid, 2-methyl-, heptadecyl ester. 4-Pentenoic acid, 2-methyl-, undecyl ester. 4-Pentenoic acid, 2-methyl-, dodecyl ester. 4-Pentenoic acid, 2-methyl-, pentadecyl ester. 4-Pentenoic acid, 2-methyl-, octadecyl ester. 4-Pentenoic acid, 2-methyl-, hexadecyl ester. 4-Pentenoic acid, 2-methyl-, decyl ester. 4-Pentenoic acid, 2-methyl-, tetradecyl ester. 4-Pentenoic acid, 2-methyl-, tridecyl ester. 4-Pentenoic acid, 2-methyl-, butyl ester. 4-Pentenoic acid, 2-methyl-, propyl ester.

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