Chemical Properties of Benzoic acid, 3-hydroxy-, isopropyl ester (CAS 53631-77-9)

Benzoic acid, 3-hydroxy-, isopropyl ester

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InChI
InChI=1S/C10H12O3/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7,11H,1-2H3
InChI Key
VANDBVAFPVUVNX-UHFFFAOYSA-N
Formula
C10H12O3
SMILES
CC(C)OC(=O)c1cccc(O)c1
Molecular Weight1
180.20
CAS
53631-77-9
Other Names
  • Benzoic acid, 3-hydroxy-, isopropyl ester
  • Isopropyl 3-hydroxybenzoate
Sources

Physical Properties

Property Value Unit Source
Δf -245.25 kJ/mol Joback Calculated Property
Δfgas -440.59 kJ/mol Joback Calculated Property
Δfus 20.74 kJ/mol Joback Calculated Property
Δvap 61.91 kJ/mol Joback Calculated Property
logPoct/wat 1.957 Crippen Calculated Property
Pc 3699.95 kPa Joback Calculated Property
Tboil 611.35 K Joback Calculated Property
Tc 839.56 K Joback Calculated Property
Tfus 397.76 K Joback Calculated Property
Vc 0.471 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 350.96 J/mol×K 611.35 Joback Calculated Property
η 0.0000299 Pa×s 611.35 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 3-hydroxy-, tert.-butyl ester. Ethyl 3-hydroxybenzoate. Benzoic acid, 3-hydroxy-, 1-methylpropyl ester. Benzoic acid, 3-methoxy-, isopropyl ester. Benzoic acid, 3-hydroxy-, 2-methylpropyl ester. 3-HO-C6H4-COOCH3. Benzoic acid, 3-hydroxy-, 3-methylbutyl ester. Ethyl-3-methoxybenzoate. Benzoic acid, 3,4-dihydroxy-, ethyl ester. Benzoic acid, 3-hydroxy-, 2-methylbutyl ester. 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. Gallic acid, ethyl ester.

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