Chemical Properties of Benzoic acid, 2-hydroxy-, 2-methylpropyl ester (CAS 87-19-4)

Benzoic acid, 2-hydroxy-, 2-methylpropyl ester

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InChI
InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3
InChI Key
PTXDBYSCVQQBNF-UHFFFAOYSA-N
Formula
C11H14O3
SMILES
CC(C)COC(=O)c1ccccc1O
Molecular Weight1
194.23
CAS
87-19-4
Other Names
  • 2-Isobutoxycarbonylphenol
  • 2-Methylpropyl o-hydroxybenzoate
  • 2-Methylpropyl salicylate
  • Isobutyl o-hydroxybenzoate
  • Isobutyl salicylate
  • Orchindone
  • Salicylic acid, 2-methylpropyl ester
  • Salicylic acid, isobutyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -236.83 kJ/mol Joback Calculated Property
Δfgas -461.23 kJ/mol Joback Calculated Property
Δfus 23.33 kJ/mol Joback Calculated Property
Δvap 64.14 kJ/mol Joback Calculated Property
logPoct/wat 2.21 Crippen Calculated Property
Pc 3302.95 kPa Joback Calculated Property
Tboil 634.23 K Joback Calculated Property
Tc 858.14 K Joback Calculated Property
Tfus 409.03 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 399.03 J/mol×K 634.23 Joback Calculated Property
η 0.00 Pa×s 634.23 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Salicylic acid, n-propyl ester. Benzoic acid, 2-hydroxy-, 2-methylbutyl ester. Benzoic acid, 2-hydroxy-, butyl ester. Benzoic acid, 2-hydroxy-, pentyl ester. Benzoic acid, 2-hydroxy-, 3-methylbutyl ester. N-hexyl salicylate. (E)-Hex-3-enyl salicylate. cis-3-Hexenyl salicylate. Benzoic acid, 2-hydroxy-, heptyl ester. Salicylic acid, 1-methylpropyl ester. Benzoic acid, 2-hydroxy-, ethyl ester. Salicylic acid, n-octyl ester. 2-Ethylhexyl salicylate. Benzoic acid, 2-hydroxy-, 1-methylethyl ester. 2-Hydroxyethyl salicylate.

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