Chemical Properties of 3-Hexenoic acid, methyl ester, (E)- (CAS 13894-61-6)

3-Hexenoic acid, methyl ester, (E)-

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InChI
InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4+
InChI Key
XEAIHUDTEINXFG-SNAWJCMRSA-N
Formula
C7H12O2
SMILES
CCC=CCC(=O)OC
Molecular Weight1
128.17
CAS
13894-61-6
Other Names
  • Methyl (3E)-3-hexenoate
  • Methyl (E)-3-hexenoate
  • Methyl trans-3-hexenoate
  • methyl (E)-hex-3-enoate
Sources

Physical Properties

Property Value Unit Source
Δf -145.64 kJ/mol Joback Calculated Property
Δfgas -315.39 kJ/mol Joback Calculated Property
Δfus 16.88 kJ/mol Joback Calculated Property
Δvap 40.29 kJ/mol Joback Calculated Property
logPoct/wat 1.52 Crippen Calculated Property
Pc 3114.04 kPa Joback Calculated Property
Tboil 440.01 K Joback Calculated Property
Tc 625.03 K Joback Calculated Property
Tfus 235.73 K Joback Calculated Property
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 222.68 J/mol×K 440.01 Joback Calculated Property
η 0.00 Pa×s 440.01 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3-Hexenoic acid, methyl ester. 3-Hexenoic acid, methyl ester, (Z)-. (Z)-3-Pentenoic acid, methyl ester. 3-Pentenoic acid, methyl ester. 3-Octenoic acid, methyl ester, (E)-. 3-Octenoic acid, methyl ester, (Z)-. 3-Hexenoic acid, ethyl ester. 3-Hexenoic acid, ethyl ester, (E)-. 3-Hexenoic acid, ethyl ester, (Z)-. methyl 3-decenoate. 3-Pentenoic acid, 4-methyl-, methyl ester. cis-3-Hexenoic acid. 3-Hexenoic acid, (E)-. 3-Hexenoic acid. cis-3-Hexenoic acid.

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