Chemical Properties of Benzoic acid, 3-methoxy-, tridecyl ester (CAS 69833-37-0)

Benzoic acid, 3-methoxy-, tridecyl ester

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InChI
InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-24-21(22)19-15-14-16-20(18-19)23-2/h14-16,18H,3-13,17H2,1-2H3
InChI Key
BCRGROQQCHLFHT-UHFFFAOYSA-N
Formula
C21H34O3
SMILES
CCCCCCCCCCCCCOC(=O)c1cccc(OC)c1
Molecular Weight1
334.49
CAS
69833-37-0
Other Names
  • m-Methoxybenzoic acid, tridecyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -110.20 kJ/mol Joback Calculated Property
Δfgas -628.73 kJ/mol Joback Calculated Property
Δfus 47.77 kJ/mol Joback Calculated Property
Δvap 76.84 kJ/mol Joback Calculated Property
logPoct/wat 6.16 Crippen Calculated Property
Pc 1198.13 kPa Joback Calculated Property
Tboil 810.25 K Joback Calculated Property
Tc 1002.94 K Joback Calculated Property
Tfus 459.76 K Joback Calculated Property
Vc 1.15 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 916.24 J/mol×K 810.25 Joback Calculated Property
η 0.00 Pa×s 810.25 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 12
-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. m-Methoxybenzoic acid, tetradecyl 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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