Chemical Properties of Benzoic acid, 2-hydroxy-, 1-methylethyl ester (CAS 607-85-2)

Benzoic acid, 2-hydroxy-, 1-methylethyl ester

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InChI
InChI=1S/C10H12O3/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7,11H,1-2H3
InChI Key
YEULQIJMIOWCHB-UHFFFAOYSA-N
Formula
C10H12O3
SMILES
CC(C)OC(=O)c1ccccc1O
Molecular Weight1
180.20
CAS
607-85-2
Other Names
  • Isopropyl o-hydroxybenzoate
  • Isopropyl salicylate
  • Salicylic acid, isopropyl ester
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 1.96 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 0.47 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 0.00 Pa×s 611.35 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Salicylic acid, tert.-butyl ester. Benzoic acid, 2-hydroxy-, ethyl ester. Salicylic acid, 1-methylpropyl ester. Salicylic acid, n-propyl ester. Benzoic acid, 2-hydroxy-, 2-propenyl ester. 2-Hydroxyethyl salicylate. Ethylene glycol, O-methyl-, O'-salicylate. 2-[(2-Hydroxybenzoyl)oxy]ethyl salicylate. Benzoic acid, 2-hydroxy-, 2-methylpropyl ester. Benzoic acid, 2-hydroxy-, butyl ester. Benzoic acid, 2-hydroxy-, 3-methyl-2-butenyl ester. Benzoic acid, 2-hydroxy-, methyl ester. Benzoic acid, 2-hydroxy-, pentyl ester. (E)-Hex-3-enyl salicylate. cis-3-Hexenyl salicylate.

Find more compounds similar to Benzoic acid, 2-hydroxy-, 1-methylethyl ester.

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