Chemical Properties of Benzoic acid, 2-hydroxy-, 3-methylbutyl ester (CAS 87-20-7)

Benzoic acid, 2-hydroxy-, 3-methylbutyl ester

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InChI
InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
InChI Key
PMGCQNGBLMMXEW-UHFFFAOYSA-N
Formula
C12H16O3
SMILES
CC(C)CCOC(=O)c1ccccc1O
Molecular Weight1
208.25
CAS
87-20-7
Other Names
  • 3-Methylbutyl 2-hydroxybenzoate
  • 3-methylbutyl salicylate
  • 34377-38-3
  • Benzoic acid, 2-hydroxy-, 3-methylbutyl ester
  • Benzoic acid, o-hydroxy, 3-methylbutyl ester
  • Isoamyl o-hydroxybenzoate
  • Isoamylester kyseliny salicylove
  • Isopentyl salicylate
  • Isopentyl-2-hydroxyphenyl methanoate
  • NSC 7952
  • Orchidee
  • Salicylic acid, 3-methylbutyl ester
  • Salicylic acid, isopentyl ester
  • Sanfoin
Sources

Physical Properties

Property Value Unit Source
Δf -228.41 kJ/mol Joback Calculated Property
Δfgas -481.87 kJ/mol Joback Calculated Property
Δfus 25.92 kJ/mol Joback Calculated Property
Δvap 66.36 kJ/mol Joback Calculated Property
logPoct/wat 2.60 Crippen Calculated Property
Pc 2966.57 kPa Joback Calculated Property
Tboil 424.70 K NIST
Tc 877.01 K Joback Calculated Property
Tfus 420.30 K Joback Calculated Property
Vc 0.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 448.59 J/mol×K 657.11 Joback Calculated Property
η 0.00 Pa×s 657.11 Joback Calculated Property
ΔvapH 73.00 kJ/mol 308.0 NIST

Molecular Descriptors

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

Similar Compounds

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

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