Chemical Properties of 3-Methylbut-2-enoic acid, 3-methylphenyl ester

3-Methylbut-2-enoic acid, 3-methylphenyl ester

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InChI
InChI=1S/C12H14O2/c1-9(2)7-12(13)14-11-6-4-5-10(3)8-11/h4-8H,1-3H3
InChI Key
AFJYBJFGJIHYIP-UHFFFAOYSA-N
Formula
C12H14O2
SMILES
CC(C)=CC(=O)Oc1cccc(C)c1
Molecular Weight1
190.24
Sources

Physical Properties

Property Value Unit Source
Δf -9.31 kJ/mol Joback Calculated Property
Δfgas -203.32 kJ/mol Joback Calculated Property
Δfus 22.17 kJ/mol Joback Calculated Property
Δvap 54.44 kJ/mol Joback Calculated Property
logPoct/wat 2.87 Crippen Calculated Property
Pc 2627.15 kPa Joback Calculated Property
Tboil 585.95 K Joback Calculated Property
Tc 805.80 K Joback Calculated Property
Tfus 317.06 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 373.70 J/mol×K 585.95 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3-Methylbut-2-enoic acid, 3,5-dimethylphenyl ester. 2-Heptenoic acid, 3-methylphenyl ester. Fumaric acid, di(3-ethylphenyl) ester. Acetic acid, 3-methylphenyl ester. Orcinyl tiglate. Orcinyl angelate. 3,5-Dimethylphenol acetate. Fumaric acid, 3,5-dimethylphenyl 3-methylbut-2-en-1-yl ester. Fumaric acid, monoamide, N,N-dimethyl-, 3-methylphenyl ester. Orcinyl diangelate. Orcinyl di-tiglate. 3-Methylbut-2-enoic acid, 4-cyanophenyl ester. Chloroacetic acid, 3-methylphenyl ester. 3-Methylbut-2-enoic acid, 4-methoxyphenyl ester. Methacrylic acid, 3-ethylphenyl ester.

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