Chemical Properties of Benzoic acid, 2-methoxy-, isopropyl ester (CAS 944-95-6)

Benzoic acid, 2-methoxy-, isopropyl ester

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InChI
InChI=1S/C11H14O3/c1-8(2)14-11(12)9-6-4-5-7-10(9)13-3/h4-8H,1-3H3
InChI Key
WHVIVRXGERGYGC-UHFFFAOYSA-N
Formula
C11H14O3
SMILES
COc1ccccc1C(=O)OC(C)C
Molecular Weight1
194.23
CAS
944-95-6
Other Names
  • Benzoic acid, 2-methoxy-, isopropyl ester
  • Isopropyl 2-methoxybenzoate
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

Benzoic acid, 2-methoxy-, tert.-butyl ester. Benzoic acid, 2-methoxy-, ethyl ester. Benzoic acid, 2-methoxy-, 1-methylpropyl ester. Benzoic acid, 2-methoxy-, propyl ester. Ethylene glycol, 2-methoxybenzoate. Ethylene glycol, O-methyl-,O'-(2-methyloxy)benzoate. O-anisic acid, cyclobutyl ester. Salicylic acid, isopropyl ether, isopropyl ester. Benzoic acid, 2-methoxy-, butyl ester. Benzoic acid, 2-methoxy-, 2-methylpropyl ester. o-Anisic acid, 3-methylbut-2-enyl ester. Salicylic acid, ethyl ether, ethyl ester. o-Anisic acid, 3-chloroprop-2-enyl ester. o-Methoxybenzoic acid, pentyl ester. Benzoic acid, 2-methoxy-, methyl ester.

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