Chemical Properties of Butanoic acid, 2-hexenyl ester, (E)- (CAS 53398-83-7)

Butanoic acid, 2-hexenyl ester, (E)-

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InChI
InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
InChI Key
PCGACKLJNBBQGM-VOTSOKGWSA-N
Formula
C10H18O2
SMILES
CCCC=CCOC(=O)CCC
Molecular Weight1
170.25
CAS
53398-83-7
Other Names
  • (2E)-2-Hexenyl butyrate
  • (E)-2-Hexen-1-ol, butanoate
  • (E)-2-Hexenyl butanoate
  • (E)-2-Hexenyl butyrate
  • (E)-hex-2-enyl butyrate
  • 2(E)-Hexenyl butanoate
  • trans-2-Hexenyl Butyrate
  • trans-2-Hexenyl butanoate
  • trans-2-Hexenyl n-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

2-Hexenyl butanoate, isomer # 2. (Z)-2-Hexenyl butyrate. 2-Hexenyl butanoate, isomer # 1. (E)-hex-2-enyl isovalerate. Butanoic acid, 3-methyl-, 2-hexenyl ester, (E)-. (Z)-3-Hexenyl 3-methylbutyrate. (Z)-2-Hexenyl pentanoate. trans-2-Hexenyl valerate. Butanoic acid, undec-2-enyl ester. (E)-2-Decenyl butyrate. 2-Hexen-1-ol, propanoate, (E)-. (Z)-2-Hexenyl propanoate. Hexanoic acid, 2-hexenyl ester, (E)-. (Z)-2-hexenyl hexanoate. (E)-2-Hexenyl 2-methylbutyrate.

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