Chemical Properties of 3-Hexenoic acid, butyl ester, (Z)- (CAS 69668-84-4)

3-Hexenoic acid, butyl ester, (Z)-

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InChI
InChI=1S/C10H18O2/c1-3-5-7-8-10(11)12-9-6-4-2/h5,7H,3-4,6,8-9H2,1-2H3/b7-5-
InChI Key
XZKZOAYDHBSAQW-ALCCZGGFSA-N
Formula
C10H18O2
SMILES
CCC=CCC(=O)OCCCC
Molecular Weight1
170.25
CAS
69668-84-4
Other Names
  • Butyl (Z)-3-hexenoate
Sources

Physical Properties

Property Value Unit Source
Δf -120.38 kJ/mol Joback Calculated Property
Δfgas -377.31 kJ/mol Joback Calculated Property
Δfus 24.64 kJ/mol Joback Calculated Property
Δvap 46.97 kJ/mol Joback Calculated Property
logPoct/wat 2.69 Crippen Calculated Property
Pc 2311.39 kPa Joback Calculated Property
Tboil 508.65 K Joback Calculated Property
Tc 688.43 K Joback Calculated Property
Tfus 269.54 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 350.74 J/mol×K 508.65 Joback Calculated Property
η 0.00 Pa×s 508.65 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 5
-CH3 2
=CH- 2
>C=O (nonring) 1

Similar Compounds

butyl (E)-3-hexenoate. Dibutyl 2-butenedioate, cis. 3-hexenyl-3-methylbutanoate. 3-Octenoic acid, butyl ester. hexyl (Z)-3-hexenoate. 3-Octenoic acid, pentyl ester. (Z)-hex-3-enyl (Z)-hex-3-enoate. (E)-3-hexenyl (Z)-3-hexenoate. 3-Hexenoic acid, ethyl ester. 3-Hexenoic acid, ethyl ester, (Z)-. 3-Hexenoic acid, ethyl ester, (E)-. 1-Methylbutyl (E)-3-hexanoate. 3-Octenoic acid, heptyl ester. 3-Octenoic acid, octyl ester. 3-Octenoic acid, octadecyl ester.

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