Chemical Properties of P-toluic acid, 3-methylbut-2-enyl ester (CAS 154559-35-0)

P-toluic acid, 3-methylbut-2-enyl ester

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InChI
InChI=1S/C13H16O2/c1-10(2)8-9-15-13(14)12-6-4-11(3)5-7-12/h4-8H,9H2,1-3H3
InChI Key
DTWKHCCYFGKBMV-UHFFFAOYSA-N
Formula
C13H16O2
SMILES
CC(C)=CCOC(=O)c1ccc(C)cc1
Molecular Weight1
204.26
CAS
154559-35-0
Other Names
  • p-Toluylic acid, 3-methylbut-2-enyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -0.89 kJ/mol Joback Calculated Property
Δfgas -223.96 kJ/mol Joback Calculated Property
Δfus 24.76 kJ/mol Joback Calculated Property
Δvap 56.66 kJ/mol Joback Calculated Property
logPoct/wat 3.12 Crippen Calculated Property
Pc 2386.52 kPa Joback Calculated Property
Tboil 608.83 K Joback Calculated Property
Tc 824.83 K Joback Calculated Property
Tfus 328.33 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 422.38 J/mol×K 608.83 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Buten-1-ol, 3-methyl-, benzoate. Terephthalic acid, di(but-2-enyl) ester. 4-Ethylbenzoic acid, 3-methylbut-2-enyl ester. 4-Cyanobenzoic acid, 3-methyl-2-enyl ester. 1,4-Benzenedicarboxylic acid, di-2-propenyl ester. (E)-2-Butenyl benzoate. p-Toluic acid, 3-chloroprop-2-enyl ester. Pent-2-en-1-yl benzoate. ETHYL 4-METHYLBENZOATE. p-Toluic acid, undec-2-enyl ester. Benzoic acid, 2-propenyl ester. E-2-hexenyl benzoate. Terephthalic acid, but-2-enyl isobutyl ester. 4-Butylbenzoic acid, 3-methylbut-2-enyl ester. Diethyl p-phthalate.

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