Chemical Properties of 2-Butenoic acid, 3-hexenyl ester, (E,Z)- (CAS 65405-80-3)

2-Butenoic acid, 3-hexenyl ester, (E,Z)-

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InChI
InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4-6,8H,3,7,9H2,1-2H3/b6-5-,8-4-
InChI Key
KITGYVIOYOCIIE-QUXRQYFZSA-N
Formula
C10H16O2
SMILES
CC=CC(=O)OCCC=CCC
Molecular Weight1
168.23
CAS
65405-80-3
Other Names
  • (3Z)-3-Hexenyl (2E)-2-butenoate
  • (Z)-3-Hexenyl (E)-2-butenoate
  • (Z)-3-hexenyl crotonate
  • 2-Butenoic acid, (3Z)-3-hexen-1-yl ester, (2E)-
Sources

Physical Properties

Property Value Unit Source
Δf -40.16 kJ/mol Joback Calculated Property
Δfgas -260.09 kJ/mol Joback Calculated Property
Δfus 24.85 kJ/mol Joback Calculated Property
Δvap 46.93 kJ/mol Joback Calculated Property
logPoct/wat 2.46 Crippen Calculated Property
Pc 2431.44 kPa Joback Calculated Property
Tboil 512.81 K Joback Calculated Property
Tc 700.55 K Joback Calculated Property
Tfus 264.46 K Joback Calculated Property
Vc 0.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 333.12 J/mol×K 512.81 Joback Calculated Property
η 0.00 Pa×s 512.81 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 3
>C=O (nonring) 1
=CH- 4
-CH3 2

Similar Compounds

2-Hexenoic acid, 3-hexenyl ester, (E,Z)-. Fumaric acid, cis-hex-3-enyl propyl ester. Fumaric acid, di(trans-hex-3-enyl) ester. Fumaric acid, di(cis-hex-3-enyl) ester. Fumaric acid, propyl trans-hex-3-enyl ester. (E)-2-Butenoic acid propyl ester. Fumaric acid, butyl trans-hex-3-enyl ester. Fumaric acid, butyl cis-hex-3-enyl ester. Fumaric acid, cis-hex-3-enyl isobutyl ester. Fumaric acid, isobutyl trans-hex-3-enyl ester. Fumaric acid, cis-non-3-enyl propyl ester. Fumaric acid, di(cis-non-3-enyl) ester. 2-Hexenoic acid, butyl ester, (e)-. 3-Hexen-1-ol, acetate, (E)-. 3-Hexenyl acetate.

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