Chemical Properties of Butanoic acid, 3-hexenyl ester, (Z)- (CAS 16491-36-4)

Butanoic acid, 3-hexenyl ester, (Z)-

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InChI
InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-
InChI Key
ZCHOPXVYTWUHDS-WAYWQWQTSA-N
Formula
C10H18O2
SMILES
CCC=CCCOC(=O)CCC
Molecular Weight1
170.25
CAS
16491-36-4
Other Names
  • (3Z)-3-Hexenyl butyrate
  • (Z)-3-Hexen-1-ol, butanoate
  • (Z)-3-Hexen-1-yl butanoate
  • (Z)-3-Hexenyl butanoate
  • (Z)-3-Hexenyl butyrate
  • (Z)-Hex-3-enyl butanoate
  • (Z)-Hex-3-enyl butyrate
  • 3(Z)-Hexenyl butanoate
  • 3-Hexen-1-ol, butanoate, (Z)-
  • Butanoic acid, (Z)-3-hexenyl ester
  • Butyric acid, 3-hexenyl ester, (Z)-
  • Hex-3(Z)-enyl butanoate
  • Hexenyl butanoate (3Z)
  • cis-3-Hexen-1-yl butyrate
  • cis-3-Hexenyl butanoate
  • cis-3-Hexenyl butyrate
  • cis-3-Hexenyl n-butyrate
  • cis-Butyric acid, 3-hexenyl ester
  • cis-Hex-3-enyl butanoate
  • cis-Hex-3-enyl butyrate
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
>C=O (nonring) 1
=CH- 2
-CH3 2

Similar Compounds

3-Hexen-1-ol, butanoate. Butanoic acid, 3-hexenyl ester, (E)-. trans-3-Heptenyl butanoate. cis-3-Heptenyl butyrate. 3-Octen-1-ol, butanoate, (E)-. (E)-3-Hexen-1-ol, pentanoate. n-Valeric acid cis-3-hexenyl ester. Cis-3-hexenyl isovalerate. 3-Hexen-1-ol, propanoate, (Z)-. hex-3-enyl propanoate. Propanoic acid, (E)-3-hexenyl ester. (Z)-3-Decenyl butyrate. Butanoic acid, 4-chloro, (Z)-3-hexenyl ester. Butanoic acid, 4-chloro, (E)-3-hexenyl ester. trans-3-Heptenyl propionate.

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