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

Benzoic acid, 3-methoxy-, isopropyl ester

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InChI
InChI=1S/C11H14O3/c1-8(2)14-11(12)9-5-4-6-10(7-9)13-3/h4-8H,1-3H3
InChI Key
CQEYWEHHTUHLEE-UHFFFAOYSA-N
Formula
C11H14O3
SMILES
COc1cccc(C(=O)OC(C)C)c1
Molecular Weight1
194.23
Sources

Physical Properties

Property Value Unit Source
Δf -196.84 kJ/mol Joback Calculated Property
Δfgas -427.61 kJ/mol Joback Calculated Property
Δfus 18.35 kJ/mol Joback Calculated Property
Δvap 54.20 kJ/mol Joback Calculated Property
logPoct/wat 2.26 Crippen Calculated Property
Pc 2709.85 kPa Joback Calculated Property
Tboil 581.01 K Joback Calculated Property
Tc 793.47 K Joback Calculated Property
Tfus 332.06 K Joback Calculated Property
Vc 0.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 371.20 J/mol×K 581.01 Joback Calculated Property
η 0.00 Pa×s 581.01 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Ethyl-3-methoxybenzoate. Benzoic acid, 3-methoxy-, 1-methylpropyl ester. Benzoic acid, 3-isopropyloxy-, isopropyl ester. m-Anisic acid, but-3-yn-2-yl ester. Benzoic acid, 3-methoxy-, propyl ester. Benzoic acid, 3-ethyloxy-, ethyl ester. m-Anisic acid, cyclobutyl ester. Benzoic acid, 3-methoxy-, butyl ester. Benzoic acid, 3-methoxy-, 2-methylpropyl ester. M-anisic acid, 3-methylbut-2-enyl ester. 3-CH3O-C6H4-COOCH3. Benzoic acid, 3-hydroxy-, isopropyl ester. M-methoxybenzoic acid, pentyl ester. m-Anisic acid, pent-2-en-4-ynyl ester. 3-Methoxybenzoic acetic anhydride.

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