Chemical Properties of Hexanoic acid, 5-hexenyl ester (CAS 108058-81-7)

Hexanoic acid, 5-hexenyl ester

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InChI
InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3H,1,4-11H2,2H3
InChI Key
LTHBRQQXKACRAP-UHFFFAOYSA-N
Formula
C12H22O2
SMILES
C=CCCCCOC(=O)CCCCC
Molecular Weight1
198.30
CAS
108058-81-7
Other Names
  • 5-hexenyl hexanoate
Sources

Physical Properties

Property Value Unit Source
Δf -95.92 kJ/mol Joback Calculated Property
Δfgas -410.38 kJ/mol Joback Calculated Property
Δfus 28.34 kJ/mol Joback Calculated Property
Δvap 50.79 kJ/mol Joback Calculated Property
logPoct/wat 3.47 Crippen Calculated Property
Pc 1920.30 kPa Joback Calculated Property
Tboil 546.93 K Joback Calculated Property
Tc 719.58 K Joback Calculated Property
Tfus 295.40 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 444.34 J/mol×K 546.93 Joback Calculated Property
η 0.00 Pa×s 546.93 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH2 1
-CH2- 8
=CH- 1
>C=O (nonring) 1

Similar Compounds

5-hexenyl octanoate. hexyl 5-hexenoate. 5-hexenyl 7-octenoate. Hexanoic acid, pentyl ester. Hexanoic acid, hexyl ester. 5-hexenyl 5-hexenoate. hexyl 7-octenoate. Pentyl 10-undecenoate. 10-Undecenoic acid, octyl ester. Hexanoic acid, butyl ester. butyl 7-octenoate. N-heptyl hexanoate. Butyl 9-decenoate. 10-Undecenoic acid, butyl ester. Pentanoic acid, 9-decenyl ester.

Find more compounds similar to Hexanoic acid, 5-hexenyl ester.

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