Chemical Properties of m-Methoxybenzoic acid, tetradecyl ester (CAS 111722-05-5)

m-Methoxybenzoic acid, tetradecyl ester

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InChI
InChI=1S/C22H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-25-22(23)20-16-15-17-21(19-20)24-2/h15-17,19H,3-14,18H2,1-2H3
InChI Key
CNNXRCQRDHZSQL-UHFFFAOYSA-N
Formula
C22H36O3
SMILES
CCCCCCCCCCCCCCOC(=O)c1cccc(OC)c1
Molecular Weight1
348.52
CAS
111722-05-5
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

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

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