Chemical Properties of Salicylic acid, n-propyl ester (CAS 607-90-9)

Salicylic acid, n-propyl ester

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InChI
InChI=1S/C10H12O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h3-6,11H,2,7H2,1H3
InChI Key
LZFIOSVZIQOVFW-UHFFFAOYSA-N
Formula
C10H12O3
SMILES
CCCOC(=O)c1ccccc1O
Molecular Weight1
180.20
CAS
607-90-9
Other Names
  • Propyl o-hydroxybenzoate
  • Propyl salicylate
  • Salicylic acid, n-propyl ester
  • Salicylic acid, propyl ester
  • n-Propyl salicylate
Sources

Physical Properties

Property Value Unit Source
Δf -242.81 kJ/mol Joback Calculated Property
Δfgas -435.31 kJ/mol Joback Calculated Property
Δfus 24.27 kJ/mol Joback Calculated Property
Δvap 62.30 kJ/mol Joback Calculated Property
logPoct/wat 1.96 Crippen Calculated Property
Pc 3664.21 kPa Joback Calculated Property
Tboil 611.79 K Joback Calculated Property
Tc 835.24 K Joback Calculated Property
Tfus 412.76 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 350.48 J/mol×K 611.79 Joback Calculated Property
η 0.00 Pa×s 611.79 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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