Chemical Properties of 2-Heptenoic acid, heptyl ester

2-Heptenoic acid, heptyl ester

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InChI
InChI=1S/C14H26O2/c1-3-5-7-9-11-13-16-14(15)12-10-8-6-4-2/h10,12H,3-9,11,13H2,1-2H3/b12-10+
InChI Key
LJRHZKSNJRIQHU-ZRDIBKRKSA-N
Formula
C14H26O2
SMILES
CCCCC=CC(=O)OCCCCCCC
Molecular Weight1
226.35
Sources

Physical Properties

Property Value Unit Source
Δf -86.70 kJ/mol Joback Calculated Property
Δfgas -459.87 kJ/mol Joback Calculated Property
Δfus 35.00 kJ/mol Joback Calculated Property
Δvap 55.87 kJ/mol Joback Calculated Property
logPoct/wat 4.246 Crippen Calculated Property
Pc 1647.09 kPa Joback Calculated Property
Tboil 600.17 K Joback Calculated Property
Tc 774.06 K Joback Calculated Property
Tfus 314.62 K Joback Calculated Property
Vc 0.824 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 547.45 J/mol×K 600.17 Joback Calculated Property
η 0.0001308 Pa×s 600.17 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 9
-CH3 2
=CH- 2
>C=O (nonring) 1

Similar Compounds

2-Heptenoic acid, octyl ester. 2-Heptenoic acid, nonyl ester. 2-Heptenoic acid, dodecyl ester. 2-Heptenoic acid, pentadecyl ester. 2-Heptenoic acid, tetradecyl ester. 2-Heptenoic acid, heptadecyl ester. 2-Heptenoic acid, tridecyl ester. 2-Heptenoic acid, hexadecyl ester. 2-Heptenoic acid, octadecyl ester. 2-Heptenoic acid, undecyl ester. 2-Heptenoic acid, hexyl ester. 2-Heptenoic acid, pentyl ester. hexyl (E)-2-hexenoate. 2-Heptenoic acid, butyl ester. butyl trans-2-nonenoate.

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