Chemical Properties of M-toluic acid, cyclobutyl ester

M-toluic acid, cyclobutyl ester

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InChI
InChI=1S/C12H14O2/c1-9-4-2-5-10(8-9)12(13)14-11-6-3-7-11/h2,4-5,8,11H,3,6-7H2,1H3
InChI Key
YEIVCBOAULAPEE-UHFFFAOYSA-N
Formula
C12H14O2
SMILES
Cc1cccc(C(=O)OC2CCC2)c1
Molecular Weight1
190.24
Other Names
  • m-toluylic acid, cyclobutyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -32.33 kJ/mol Joback Calculated Property
Δfgas -244.11 kJ/mol Joback Calculated Property
Δfus 19.31 kJ/mol Joback Calculated Property
Δvap 54.48 kJ/mol Joback Calculated Property
logPoct/wat 2.70 Crippen Calculated Property
Pc 2912.39 kPa Joback Calculated Property
Tboil 592.92 K Joback Calculated Property
Tc 822.69 K Joback Calculated Property
Tfus 350.52 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 380.39 J/mol×K 592.92 Joback Calculated Property
η 0.00 Pa×s 592.92 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Butyl m-toluate. Isophthalic acid, butyl isopropyl ester. Benzoic acid, 3-methyl-, 3-methylbut-2-yl ester. M-toluic acid, 2-pentadecyl ester. m-Toluic acid, 2-tetradecyl ester. M-toluic acid, 2-tridecyl ester. M-toluic acid, pentyl ester. Isophthalic acid, isopropyl pentyl ester. Isophthalic acid, ethyl hex-3-yl ester. Benzoic acid, 3-methyl-, 3-methylbutyl ester. M-toluic acid, hexyl ester. Isophthalic acid, di(hex-2-yl) ester. Isophthalic acid, ethyl hex-2-yl ester. Isophthalic acid, di(1-propylbutyl) ester. Isophthalic acid, butyl 1-propylbutyl ester.

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