Chemical Properties of Benzoic acid, 2-hydroxy-, heptyl ester (CAS 6259-77-4)

Benzoic acid, 2-hydroxy-, heptyl ester

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InChI
InChI=1S/C14H20O3/c1-2-3-4-5-8-11-17-14(16)12-9-6-7-10-13(12)15/h6-7,9-10,15H,2-5,8,11H2,1H3
InChI Key
UGHVXXDQKXLCID-UHFFFAOYSA-N
Formula
C14H20O3
SMILES
CCCCCCCOC(=O)c1ccccc1O
Molecular Weight1
236.31
CAS
6259-77-4
Other Names
  • heptyl 2-hydroxybenzoate
  • heptyl salicylate
  • n-Heptyl salicylate
Sources

Physical Properties

Property Value Unit Source
Δf -209.13 kJ/mol Joback Calculated Property
Δfgas -517.87 kJ/mol Joback Calculated Property
Δfus 34.63 kJ/mol Joback Calculated Property
Δvap 71.20 kJ/mol Joback Calculated Property
logPoct/wat 3.52 Crippen Calculated Property
Pc 2412.37 kPa Joback Calculated Property
Tboil 703.31 K Joback Calculated Property
Tc 912.60 K Joback Calculated Property
Tfus 457.84 K Joback Calculated Property
Vc 0.70 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 551.38 J/mol×K 703.31 Joback Calculated Property
η 0.00 Pa×s 703.31 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 6
>C=O (nonring) 1
-OH (phenol) 1

Similar Compounds

Salicylic acid, n-octyl ester. N-hexyl salicylate. 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. O-methoxybenzoic acid, heptyl ester. cis-3-Hexenyl salicylate. (E)-Hex-3-enyl salicylate. o-Methoxybenzoic acid, octyl ester. o-Methoxybenzoic acid, tetradecyl ester.

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