Chemical Properties of P-toluic acid, 3-tridecyl ester

P-toluic acid, 3-tridecyl ester

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InChI
InChI=1S/C21H34O2/c1-4-6-7-8-9-10-11-12-13-20(5-2)23-21(22)19-16-14-18(3)15-17-19/h14-17,20H,4-13H2,1-3H3
InChI Key
NIWAOHOUTMSHPI-UHFFFAOYSA-N
Formula
C21H34O2
SMILES
CCCCCCCCCCC(CC)OC(=O)c1ccc(C)cc1
Molecular Weight1
318.49
Other Names
  • p-Toluylic acid, 3-tridecyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -7.64 kJ/mol Joback Calculated Property
Δfgas -501.79 kJ/mol Joback Calculated Property
Δfus 43.06 kJ/mol Joback Calculated Property
Δvap 74.05 kJ/mol Joback Calculated Property
logPoct/wat 6.46 Crippen Calculated Property
Pc 1219.14 kPa Joback Calculated Property
Tboil 787.39 K Joback Calculated Property
Tc 980.88 K Joback Calculated Property
Tfus 422.53 K Joback Calculated Property
Vc 1.12 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 885.66 J/mol×K 787.39 Joback Calculated Property
η 0.00 Pa×s 787.39 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 10
>C=O (nonring) 1

Similar Compounds

p-Toluic acid, 5-tridecyl ester. p-Toluic acid, 3-tetradecyl ester. p-Toluic acid, 4-tetradecyl ester. P-toluic acid, 4-pentadecyl ester. p-Toluic acid, 5-tetradecyl ester. P-toluic acid, 5-pentadecyl ester. p-Toluic acid, 4-tridecyl ester. p-Toluic acid, 4-hexadecyl ester. P-toluic acid, 3-pentadecyl ester. Terephthalic acid, heptyl-3 undecyl ester. Terephthalic acid, heptyl-3 octyl ester. Terephthalic acid, heptyl-3 hexadecyl ester. Terephthalic acid, heptadecyl heptyl-3 ester. Terephthalic acid, decyl heptyl-3 ester. Terephthalic acid, heptyl-3 tetradecyl ester.

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