Chemical Properties of N-hexyl salicylate (CAS 6259-76-3)

N-hexyl salicylate

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InChI
InChI=1S/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3
InChI Key
DUKPKQFHJQGTGU-UHFFFAOYSA-N
Formula
C13H18O3
SMILES
CCCCCCOC(=O)c1ccccc1O
Molecular Weight1
222.28
CAS
6259-76-3
Other Names
  • Benzoic acid, 2-hydroxy-, hexyl ester
  • Hexyl 2-hydroxybenzoate
  • Hexyl salicilate
  • Hexyl salicylate
  • Salicylic acid, hexyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -217.55 kJ/mol Joback Calculated Property
Δfgas -497.23 kJ/mol Joback Calculated Property
Δfus 32.04 kJ/mol Joback Calculated Property
Δvap 68.98 kJ/mol Joback Calculated Property
logPoct/wat 3.13 Crippen Calculated Property
Pc 2657.03 kPa Joback Calculated Property
Tboil 680.43 K Joback Calculated Property
Tc 892.73 K Joback Calculated Property
Tfus 446.57 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 499.06 J/mol×K 680.43 Joback Calculated Property
η 0.00 Pa×s 680.43 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 5
-CH3 1
-OH (phenol) 1

Similar Compounds

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

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