Chemical Properties of p-Toluic acid, heptyl ester (CAS 331810-92-5)

p-Toluic acid, heptyl ester

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InChI
InChI=1S/C15H22O2/c1-3-4-5-6-7-12-17-15(16)14-10-8-13(2)9-11-14/h8-11H,3-7,12H2,1-2H3
InChI Key
XPCXKYHMNRJMRA-UHFFFAOYSA-N
Formula
C15H22O2
SMILES
CCCCCCCOC(=O)c1ccc(C)cc1
Molecular Weight1
234.33
CAS
331810-92-5
Other Names
  • p-Toluylic acid, heptyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -55.72 kJ/mol Joback Calculated Property
Δfgas -372.67 kJ/mol Joback Calculated Property
Δfus 31.04 kJ/mol Joback Calculated Property
Δvap 61.08 kJ/mol Joback Calculated Property
logPoct/wat 4.12 Crippen Calculated Property
Pc 1896.95 kPa Joback Calculated Property
Tboil 650.55 K Joback Calculated Property
Tc 848.93 K Joback Calculated Property
Tfus 369.91 K Joback Calculated Property
Vc 0.79 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 546.11 J/mol×K 650.55 Joback Calculated Property
η 0.00 Pa×s 650.55 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 6
-CH3 2

Similar Compounds

p-Toluic acid, heptadecyl ester. p-Toluic acid, octadecyl ester. P-toluic acid, tetradecyl ester. p-Toluic acid, pentadecyl ester. P-toluic acid, tridecyl ester. P-toluic acid, undecyl ester. P-toluic acid, decyl ester. P-toluic acid, octyl ester. Hexadecyl p-toluate. p-Toluic acid, nonyl ester. P-toluic acid, hexyl ester. Terephthalic acid, heptyl pentyl ester. Terephthalic acid, diheptyl ester. Terephthalic acid, nonyl propyl ester. 1,4-Benzenedicarboxylic acid, dioctyl ester.

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