Chemical Properties of 3-Pentenoic acid 2-methylpropyl ester (CAS 62030-42-6)

3-Pentenoic acid 2-methylpropyl ester

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InChI
InChI=1S/C9H16O2/c1-4-5-6-9(10)11-7-8(2)3/h4-5,8H,6-7H2,1-3H3/b5-4+
InChI Key
RRVVJXIVCJZXHO-SNAWJCMRSA-N
Formula
C9H16O2
SMILES
CC=CCC(=O)OCC(C)C
Molecular Weight1
156.22
CAS
62030-42-6
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5322.90 ± 2.50 kJ/mol NIST
Δf -131.24 kJ/mol Joback Calculated Property
Δfgas -453.00 ± 3.00 kJ/mol NIST
Δfliquid -505.00 ± 3.00 kJ/mol NIST
Δfus 18.53 kJ/mol Joback Calculated Property
Δvap 52.00 ± 1.00 kJ/mol NIST
logPoct/wat 2.15 Crippen Calculated Property
Pc 2561.10 kPa Joback Calculated Property
Tboil 485.33 K Joback Calculated Property
Tc 670.77 K Joback Calculated Property
Tfus 243.27 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 306.21 J/mol×K 485.33 Joback Calculated Property
η 0.00 Pa×s 485.33 Joback Calculated Property
ΔvapH 41.00 kJ/mol 293.0 NIST

Molecular Descriptors

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

Similar Compounds

Isobutyl vinylacetate. 3-Octenoic acid, isobutyl ester. (Z)-3-Pentenoic acid ethyl ester. (Z)-hex-3-enyl (Z)-hex-3-enoate. (E)-3-hexenyl (Z)-3-hexenoate. 3-Hexenyl isobutyrate. cis-3-Hexenyl iso-butyrate. butyl (E)-3-hexenoate. 3-Hexenoic acid, butyl ester, (Z)-. 3-Hexenoic acid, ethyl ester, (E)-. 3-Hexenoic acid, ethyl ester. 3-Hexenoic acid, ethyl ester, (Z)-. 3-Butenoic acid, propyl ester. 3-hexenyl-3-methylbutanoate. Dibutyl 2-butenedioate, cis.

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