Chemical Properties of M-methoxybenzoic acid, pentyl ester (CAS 77201-14-0)

M-methoxybenzoic acid, pentyl ester

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InChI
InChI=1S/C13H18O3/c1-3-4-5-9-16-13(14)11-7-6-8-12(10-11)15-2/h6-8,10H,3-5,9H2,1-2H3
InChI Key
UUZIQXXDQOPJQU-UHFFFAOYSA-N
Formula
C13H18O3
SMILES
CCCCCOC(=O)c1cccc(OC)c1
Molecular Weight1
222.28
CAS
77201-14-0
Other Names
  • Benzoic acid, 3-methoxy-, pentyl ester
  • Pentyl 3-methoxybenzoate
Sources

Physical Properties

Property Value Unit Source
Δf -177.56 kJ/mol Joback Calculated Property
Δfgas -463.61 kJ/mol Joback Calculated Property
Δfus 27.05 kJ/mol Joback Calculated Property
Δvap 59.04 kJ/mol Joback Calculated Property
logPoct/wat 3.04 Crippen Calculated Property
Pc 2222.89 kPa Joback Calculated Property
Tboil 627.21 K Joback Calculated Property
Tc 829.16 K Joback Calculated Property
Tfus 369.60 K Joback Calculated Property
Vc 0.70 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 469.42 J/mol×K 627.21 Joback Calculated Property
η 0.00 Pa×s 627.21 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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