Chemical Properties of o-Methoxybenzoic acid, tetradecyl ester (CAS 111722-03-3)

o-Methoxybenzoic acid, tetradecyl ester

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InChI
InChI=1S/C22H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-25-22(23)20-17-14-15-18-21(20)24-2/h14-15,17-18H,3-13,16,19H2,1-2H3
InChI Key
CMRJODNVCVELRW-UHFFFAOYSA-N
Formula
C22H36O3
SMILES
CCCCCCCCCCCCCCOC(=O)c1ccccc1OC
Molecular Weight1
348.52
CAS
111722-03-3
Sources

Physical Properties

Property Value Unit Source
Δf -101.78 kJ/mol Joback Calculated Property
Δfgas -649.37 kJ/mol Joback Calculated Property
Δfus 50.36 kJ/mol Joback Calculated Property
Δvap 79.07 kJ/mol Joback Calculated Property
logPoct/wat 6.55 Crippen Calculated Property
Pc 1122.31 kPa Joback Calculated Property
Tboil 833.13 K Joback Calculated Property
Tc 1027.17 K Joback Calculated Property
Tfus 471.03 K Joback Calculated Property
Vc 1.20 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 976.56 J/mol×K 833.13 Joback Calculated Property
η 0.00 Pa×s 833.13 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 13
-CH3 2

Similar Compounds

O-methoxybenzoic acid, pentadecyl ester. o-Methoxybenzoic acid, tridecyl ester. O-methoxybenzoic acid, decyl ester. O-methoxybenzoic acid, hexadecyl ester. O-anisic acid, heptadecyl ester. o-Anisic acid, nonyl ester. O-methoxybenzoic acid, octadecyl ester. o-Anisic acid, undecyl ester. o-Methoxybenzoic acid, octyl ester. O-methoxybenzoic acid, heptyl ester. Benzoic acid, 2-methoxy-, hexyl ester. o-Methoxybenzoic acid, pentyl ester. Benzoic acid, 2-methoxy-, butyl ester. o-Anisic acid, dodec-9-ynyl ester. Benzoic acid, 2-methoxy-, 3-methylbutyl ester.

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