Chemical Properties of Salicylic acid, n-octyl ester (CAS 6969-49-9)

Salicylic acid, n-octyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C15H22O3/c1-2-3-4-5-6-9-12-18-15(17)13-10-7-8-11-14(13)16/h7-8,10-11,16H,2-6,9,12H2,1H3
InChI Key
WCJLCOAEJIHPCW-UHFFFAOYSA-N
Formula
C15H22O3
SMILES
CCCCCCCCOC(=O)c1ccccc1O
Molecular Weight1
250.33
CAS
6969-49-9
Other Names
  • Benzoic acid, 2-hydroxy-, octyl ester
  • Salicylic acid, octyl ester
  • octyl salicylate
Sources

Physical Properties

Property Value Unit Source
Δf -200.71 kJ/mol Joback Calculated Property
Δfgas -538.51 kJ/mol Joback Calculated Property
Δfus 37.22 kJ/mol Joback Calculated Property
Δvap 73.43 kJ/mol Joback Calculated Property
logPoct/wat 3.91 Crippen Calculated Property
Pc 2200.01 kPa Joback Calculated Property
Tboil 726.19 K Joback Calculated Property
Tc 932.89 K Joback Calculated Property
Tfus 469.11 K Joback Calculated Property
Vc 0.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 604.97 J/mol×K 726.19 Joback Calculated Property
η 0.00 Pa×s 726.19 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 7
>C=O (nonring) 1
-OH (phenol) 1

Similar Compounds

Benzoic acid, 2-hydroxy-, heptyl 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, tetradecyl ester. o-Anisic acid, undecyl ester. o-Methoxybenzoic acid, octyl ester. O-anisic acid, heptadecyl ester. o-Anisic acid, nonyl ester.

Find more compounds similar to Salicylic acid, n-octyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.