Chemical Properties of p-Toluic acid, octadecyl ester (CAS 75260-42-3)

p-Toluic acid, octadecyl ester

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InChI
InChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-26(27)25-21-19-24(2)20-22-25/h19-22H,3-18,23H2,1-2H3
InChI Key
VFDQXUGAATXMBU-UHFFFAOYSA-N
Formula
C26H44O2
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)c1ccc(C)cc1
Molecular Weight1
388.63
CAS
75260-42-3
Other Names
  • p-Toluylic acid, octadecyl ester
Sources

Physical Properties

Property Value Unit Source
Δf 36.90 kJ/mol Joback Calculated Property
Δfgas -599.71 kJ/mol Joback Calculated Property
Δfus 59.53 kJ/mol Joback Calculated Property
Δvap 85.56 kJ/mol Joback Calculated Property
logPoct/wat 8.41 Crippen Calculated Property
Pc 890.00 kPa Joback Calculated Property
Tboil 902.23 K Joback Calculated Property
Tc 1104.96 K Joback Calculated Property
Tfus 493.88 K Joback Calculated Property
Vc 1.41 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1192.67 J/mol×K 902.23 Joback Calculated Property
η 0.00 Pa×s 902.23 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 17
-CH3 2

Similar Compounds

P-toluic acid, tridecyl ester. p-Toluic acid, nonyl ester. P-toluic acid, octyl ester. P-toluic acid, decyl ester. p-Toluic acid, heptadecyl ester. Hexadecyl p-toluate. p-Toluic acid, pentadecyl ester. P-toluic acid, tetradecyl ester. P-toluic acid, undecyl ester. p-Toluic acid, heptyl ester. P-toluic acid, hexyl ester. Butyl octyl terephthalate. 1,4-Benzenedicarboxylic acid, dioctyl ester. 1,4-Benzenedicarboxylic acid, decyl ethyl ester. Terephthalic acid, methyl undecyl ester.

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