Chemical Properties of 2-Pentenoic acid, 3-methyl-, methyl ester (CAS 50652-79-4)

2-Pentenoic acid, 3-methyl-, methyl ester

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InChI
InChI=1S/C7H12O2/c1-4-6(2)5-7(8)9-3/h5H,4H2,1-3H3/b6-5+
InChI Key
SLQFYMAWZYTVFZ-AATRIKPKSA-N
Formula
C7H12O2
SMILES
CCC(C)=CC(=O)OC
Molecular Weight1
128.17
CAS
50652-79-4
Other Names
  • Methyl 3-methyl-2-pentenoate
Sources

Physical Properties

Property Value Unit Source
Δf -154.19 kJ/mol Joback Calculated Property
Δfgas -325.18 kJ/mol Joback Calculated Property
Δfus 15.56 kJ/mol Joback Calculated Property
Δvap 40.37 kJ/mol Joback Calculated Property
logPoct/wat 1.52 Crippen Calculated Property
Pc 3131.49 kPa Joback Calculated Property
Tboil 439.89 K Joback Calculated Property
Tc 628.49 K Joback Calculated Property
Tfus 221.77 K Joback Calculated Property
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 222.62 J/mol×K 439.89 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Butenoic acid, 3-methyl-, methyl ester. 2-Pentenoic acid, methyl ester. 2-Pentenoic acid, methyl ester, (E)-. methyl 4-hydroxy-3-methyl-2-pentenoate. 2-Hexenoic acid, methyl ester. 2-Hexenoic acid, methyl ester, (E)-. Ethyl trans-2-pentenoate. (Z)-2-Pentenoic acid ethyl ester. 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (Z)-. trans-Geranic acid methyl ester. 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester. 2-Butenoic acid, 3-methyl-, ethyl ester. 2-Pentenoic acid, 4-methyl-, methyl ester. 3-Methylglutakonic acid dimethyl ester. dimethyl 3-methylpent-2-enedioate.

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