Chemical Properties of p-Toluic acid, pentyl ester (CAS 6976-74-5)

p-Toluic acid, pentyl ester

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InChI
InChI=1S/C13H18O2/c1-3-4-5-10-15-13(14)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3
InChI Key
FXPYVDXLZGLQKU-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
CCCCCOC(=O)c1ccc(C)cc1
Molecular Weight1
206.28
CAS
6976-74-5
Other Names
  • p-Toluylic acid, pentyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -72.56 kJ/mol Joback Calculated Property
Δfgas -331.39 kJ/mol Joback Calculated Property
Δfus 25.86 kJ/mol Joback Calculated Property
Δvap 56.63 kJ/mol Joback Calculated Property
logPoct/wat 3.34 Crippen Calculated Property
Pc 2258.96 kPa Joback Calculated Property
Tboil 604.79 K Joback Calculated Property
Tc 808.65 K Joback Calculated Property
Tfus 347.37 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 443.04 J/mol×K 604.79 Joback Calculated Property
η 0.00 Pa×s 604.79 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

P-toluic acid, hexyl ester. Dipentyl terephthalate. p-Toluic acid, heptyl ester. p-Toluic acid, pentadecyl ester. P-toluic acid, tridecyl ester. p-Toluic acid, octadecyl ester. P-toluic acid, tetradecyl ester. p-Toluic acid, heptadecyl ester. P-toluic acid, decyl ester. P-toluic acid, undecyl ester. P-toluic acid, octyl ester. Hexadecyl p-toluate. p-Toluic acid, nonyl ester. 1,4-Benzenedicarboxylic acid, dihexyl ester. p-Toluic acid, butyl ester.

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