Chemical Properties of Benzoic acid, 2-hydroxy-, pentyl ester (CAS 2050-08-0)

Benzoic acid, 2-hydroxy-, pentyl ester

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InChI
InChI=1S/C12H16O3/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8,13H,2-3,6,9H2,1H3
InChI Key
RANVDUNFZBMTBK-UHFFFAOYSA-N
Formula
C12H16O3
SMILES
CCCCCOC(=O)c1ccccc1O
Molecular Weight1
208.25
CAS
2050-08-0
Other Names
  • Amyl salicylate
  • Amylester kyseliny salicylove
  • N-Amyl salicylate
  • Pentyl salicylate
  • Salicylic acid, amyl ester
  • Salicylic acid, pentyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -225.97 kJ/mol Joback Calculated Property
Δfgas -476.59 kJ/mol Joback Calculated Property
Δfus 29.45 kJ/mol Joback Calculated Property
Δvap 66.75 kJ/mol Joback Calculated Property
logPoct/wat 2.74 Crippen Calculated Property
Pc 2940.89 kPa Joback Calculated Property
Tboil 657.55 K Joback Calculated Property
Tc 873.24 K Joback Calculated Property
Tfus 435.30 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 448.08 J/mol×K 657.55 Joback Calculated Property
η 0.00 Pa×s 657.55 Joback Calculated Property
ΔvapH 66.50 kJ/mol 471.0 NIST

Molecular Descriptors

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

Similar Compounds

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

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