Chemical Properties of 2-Methylvaleric acid, 3-methylphenyl ester

2-Methylvaleric acid, 3-methylphenyl ester

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InChI
InChI=1S/C13H18O2/c1-4-6-11(3)13(14)15-12-8-5-7-10(2)9-12/h5,7-9,11H,4,6H2,1-3H3
InChI Key
ZPFHFVWGRICJNI-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
CCCC(C)C(=O)Oc1cccc(C)c1
Molecular Weight1
206.28
Sources

Physical Properties

Property Value Unit Source
Δf -75.00 kJ/mol Joback Calculated Property
Δfgas -336.67 kJ/mol Joback Calculated Property
Δfus 22.34 kJ/mol Joback Calculated Property
Δvap 56.24 kJ/mol Joback Calculated Property
logPoct/wat 3.34 Crippen Calculated Property
Pc 2276.24 kPa Joback Calculated Property
Tboil 604.35 K Joback Calculated Property
Tc 812.28 K Joback Calculated Property
Tfus 332.37 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 443.45 J/mol×K 604.35 Joback Calculated Property
η 0.00 Pa×s 604.35 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 2
-CH3 3

Similar Compounds

Cyclobutanecarboxylic acid, 3-methylphenyl ester. Cyclopentanecarboxylic acid, 3-methylphenyl ester. 2-Ethylbutyric acid, 3-methylphenyl ester. Cyclohexanecarboxylic acid, 3-methylphenyl ester. Cyclobutanecarboxylic acid, 3,5-dimethylphenyl ester. 2-Methylpentanoic acid, 3,4-dimethylphenyl ester. Cyclopentanecarboxylic acid, 3,5-dimethylphenyl ester. Valeric acid, 3-methylphenyl ester. Cyclopropanecarboxylic acid, 3-methylphenyl ester. Cyclohexanecarboxylic acid, 3,5-dimethylphenyl ester. 5-Bromovaleric acid, 3-methylphenyl ester. Nonoic acid, 3-methylphenyl ester. Myristic acid, 3-methylphenyl ester. Octanoic acid, 3-methylphenyl ester. Sebacic acid, di(3-methylphenyl) ester.

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