Chemical Properties of Benzoic acid, 3-methoxy-, butyl ester

Benzoic acid, 3-methoxy-, butyl ester

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InChI
InChI=1S/C12H16O3/c1-3-4-8-15-12(13)10-6-5-7-11(9-10)14-2/h5-7,9H,3-4,8H2,1-2H3
InChI Key
BQGRZDUSDFGMHU-UHFFFAOYSA-N
Formula
C12H16O3
SMILES
CCCCOC(=O)c1cccc(OC)c1
Molecular Weight1
208.25
Sources

Physical Properties

Property Value Unit Source
Δf -185.98 kJ/mol Joback Calculated Property
Δfgas -442.97 kJ/mol Joback Calculated Property
Δfus 24.46 kJ/mol Joback Calculated Property
Δvap 56.81 kJ/mol Joback Calculated Property
logPoct/wat 2.65 Crippen Calculated Property
Pc 2438.65 kPa Joback Calculated Property
Tboil 604.33 K Joback Calculated Property
Tc 809.23 K Joback Calculated Property
Tfus 358.33 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 419.31 J/mol×K 604.33 Joback Calculated Property
η 0.00 Pa×s 604.33 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

Find more compounds similar to Benzoic acid, 3-methoxy-, butyl ester.

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