Chemical Properties of 3-Hexen-1-ol, acetate, (E)- (CAS 3681-82-1)

3-Hexen-1-ol, acetate, (E)-

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InChI
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4+
InChI Key
NPFVOOAXDOBMCE-SNAWJCMRSA-N
Formula
C8H14O2
SMILES
CCC=CCCOC(C)=O
Molecular Weight1
142.20
CAS
3681-82-1
Other Names
  • (3E)-3-Hexenyl acetate
  • (3E)-Hexenyl acetate
  • (E)-3-Hexen-1-ol acetate
  • (E)-3-Hexen-1-yl acetate
  • (E)-3-Hexenol acetate
  • (E)-3-Hexenyl acetate
  • (E)-Hex-3-enol acetate
  • (E)-hex-3-enyl acetate
  • trans-3-Hexen-1-ol, acetate
  • trans-3-Hexenyl acetate
Sources

Physical Properties

Property Value Unit Source
Δf -137.22 kJ/mol Joback Calculated Property
Δfgas -336.03 kJ/mol Joback Calculated Property
Δfus 19.46 kJ/mol Joback Calculated Property
Δvap 42.52 kJ/mol Joback Calculated Property
logPoct/wat 1.91 Crippen Calculated Property
Pc 2805.41 kPa Joback Calculated Property
Tboil 462.89 K Joback Calculated Property
Tc 646.21 K Joback Calculated Property
Tfus 247.00 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 263.30 J/mol×K 462.89 Joback Calculated Property
η 0.00 Pa×s 462.89 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3-Hexenyl acetate. 3-Hexen-1-ol, acetate, (Z)-. (Z)-3-Heptenyl acetate. (E)-3-Heptenyl acetate. 3-6-Nonadien-1-yl-acetate. (Z,Z)-3,6-nonadienyl acetate. 3-Octen-1-ol, acetate, (Z)-. 3-Octenyl acetate. 3-Hexen-1-ol, propanoate, (Z)-. Propanoic acid, (E)-3-hexenyl ester. hex-3-enyl propanoate. Acetic acid, non-3-enyl ester, cis-. (Z)-3-Nonen-1-yl acetate. (E)-3-Decenyl acetate. 3-Decen-1-ol, acetate, (Z)-.

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