Chemical Properties of Isopentyl 3-butenoate

Isopentyl 3-butenoate

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InChI
InChI=1S/C9H16O2/c1-4-5-9(10)11-7-6-8(2)3/h4,8H,1,5-7H2,2-3H3
InChI Key
ZOLACEAETZCXMH-UHFFFAOYSA-N
Formula
C9H16O2
SMILES
C=CCC(=O)OCCC(C)C
Molecular Weight1
156.22
Other Names
  • 3-Butenoic acid, 3-methylbutyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -123.62 kJ/mol Joback Calculated Property
Δfgas -353.74 kJ/mol Joback Calculated Property
Δfus 17.05 kJ/mol Joback Calculated Property
Δvap 43.73 kJ/mol Joback Calculated Property
logPoct/wat 2.15 Crippen Calculated Property
Pc 2535.37 kPa Joback Calculated Property
Tboil 477.85 K Joback Calculated Property
Tc 658.67 K Joback Calculated Property
Tfus 246.59 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 305.61 J/mol×K 477.85 Joback Calculated Property
η 0.00 Pa×s 477.85 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3-Butenoic acid, butyl ester. Pentyl 3-butenoate. 3-hexenyl-3-methylbutanoate. Isoamyl propionate. Hexyl 3-butenoate. 3-Butenoic acid, propyl ester. Octyl 3-butenoate. Butanoic acid, 3-methylbutyl ester. Butanoic acid, 3-methyl-, 3-methyl-3-butenyl ester. Butanoic acid, 3-methyl-, 3-methylbutyl ester. Butanoic acid, 3-methyl-, butyl ester. Isobutyl vinylacetate. Iso-amyl iso-butyrate. 3-Hexenoic acid, butyl ester, (Z)-. butyl (E)-3-hexenoate.

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