Chemical Properties of 2-Hexenoic acid, 3-hexenyl ester, (E,Z)- (CAS 53398-87-1)

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

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InChI
InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7-8,10H,3-4,6,9,11H2,1-2H3/b7-5-,10-8+
InChI Key
WAZKUHYKUCORDK-SUTBWYPISA-N
Formula
C12H20O2
SMILES
CCC=CCCOC(=O)C=CCCC
Molecular Weight1
196.29
CAS
53398-87-1
Other Names
  • (3Z)-3-Hexenyl (2E)-2-hexenoate
  • (Z)-3-Hexenyl (E)-2-hexenoate
  • 2-Hexenoic acid, (3Z)-3-hexen-1-yl ester, (2E)-
  • 2-Hexenoic acid, (3Z)-3-hexenyl ester, (2E)-
  • Hex-3-enyl-hex-2-enoate
  • TRANS-2-HEXENOATO CIS-3 HEXENILO
  • cis-3-Hexenyl trans-2-hexenoate
Sources

Physical Properties

Property Value Unit Source
Δf -23.32 kJ/mol Joback Calculated Property
Δfgas -301.37 kJ/mol Joback Calculated Property
Δfus 30.03 kJ/mol Joback Calculated Property
Δvap 51.38 kJ/mol Joback Calculated Property
logPoct/wat 3.24 Crippen Calculated Property
Pc 2029.06 kPa Joback Calculated Property
Tboil 558.57 K Joback Calculated Property
Tc 742.19 K Joback Calculated Property
Tfus 287.00 K Joback Calculated Property
Vc 0.69 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 427.05 J/mol×K 558.57 Joback Calculated Property
η 0.00 Pa×s 558.57 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 5
>C=O (nonring) 1
=CH- 4
-CH3 2

Similar Compounds

2-Butenoic acid, 3-hexenyl ester, (E,Z)-. 2-Hexenoic acid, butyl ester, (e)-. Isobutyl 2-hexenoate. 3-Methylbutyl (Z)-2-hexenoate. 2-Hexenoic acid, ethyl ester. Ethyl 2-hexenoate, trans-. 2-Heptenoic acid, butyl ester. Fumaric acid, di(cis-hex-3-enyl) ester. Fumaric acid, cis-hex-3-enyl propyl ester. Fumaric acid, di(trans-hex-3-enyl) ester. Fumaric acid, propyl trans-hex-3-enyl ester. butyl cis-2-octenoate. 2-Octenoic acid, butyl ester. butyl trans-2-octenoate. 2-Heptenoic acid, isobutyl ester.

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