Chemical Properties of (E)-Hex-3-enyl salicylate

(E)-Hex-3-enyl salicylate

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InChI
InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3+
InChI Key
IEPWIPZLLIOZLU-ONEGZZNKSA-N
Formula
C13H16O3
SMILES
CCC=CCCOC(=O)c1ccccc1O
Molecular Weight1
220.26
Sources

Physical Properties

Property Value Unit Source
Δf -137.33 kJ/mol Joback Calculated Property
Δfgas -380.01 kJ/mol Joback Calculated Property
Δfus 32.24 kJ/mol Joback Calculated Property
Δvap 68.94 kJ/mol Joback Calculated Property
logPoct/wat 2.91 Crippen Calculated Property
Pc 2805.41 kPa Joback Calculated Property
Tboil 684.59 K Joback Calculated Property
Tc 905.02 K Joback Calculated Property
Tfus 441.49 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 476.20 J/mol×K 684.59 Joback Calculated Property
η 0.00 Pa×s 684.59 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 3
=CH- 2
-CH3 1
-OH (phenol) 1

Similar Compounds

cis-3-Hexenyl salicylate. Salicylic acid, n-propyl ester. Benzoic acid, 2-hydroxy-, 2-methylpropyl ester. Benzoic acid, 2-hydroxy-, butyl ester. Benzoic acid, 2-hydroxy-, pentyl ester. Salicylic acid, 1-methylpropyl ester. N-hexyl salicylate. Benzoic acid, 2-hydroxy-, 3-methylbutyl ester. Benzoic acid, 2-hydroxy-, ethyl ester. 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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