Chemical Properties of Benzoic acid, 2-hydroxy-, 3-methyl-2-butenyl ester (CAS 68555-58-8)

Benzoic acid, 2-hydroxy-, 3-methyl-2-butenyl ester

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InChI
InChI=1S/C12H14O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-7,13H,8H2,1-2H3
InChI Key
MCAYDAOGSVHGEE-UHFFFAOYSA-N
Formula
C12H14O3
SMILES
CC(C)=CCOC(=O)c1ccccc1O
Molecular Weight1
206.24
CAS
68555-58-8
Other Names
  • 2-Buten-1-ol, 3-methyl-, salicylate
  • 3-Methyl-2-butenyl salicylate
  • Prenyl salicylate
Sources

Physical Properties

Property Value Unit Source
Δf -154.30 kJ/mol Joback Calculated Property
Δfgas -369.16 kJ/mol Joback Calculated Property
Δfus 28.34 kJ/mol Joback Calculated Property
Δvap 66.79 kJ/mol Joback Calculated Property
logPoct/wat 2.52 Crippen Calculated Property
Pc 3131.49 kPa Joback Calculated Property
Tboil 661.59 K Joback Calculated Property
Tc 889.73 K Joback Calculated Property
Tfus 416.26 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 425.51 J/mol×K 661.59 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 2-hydroxy-, 2-propenyl ester. Benzoic acid, 2-hydroxy-, ethyl ester. Benzoic acid, 2-hydroxy-, 1-methylethyl ester. Salicylic acid, n-propyl ester. o-Anisic acid, 3-methylbut-2-enyl ester. 2-Hydroxyethyl salicylate. Salicylic acid, tert.-butyl ester. 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. Ethylene glycol, O-acetyl-, O'-salicylate. Benzoic acid, 2-hydroxy-, pentyl ester. Benzoic acid, 2-hydroxy-, 3-methylbutyl ester. (E)-Hex-3-enyl salicylate.

Find more compounds similar to Benzoic acid, 2-hydroxy-, 3-methyl-2-butenyl ester.

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