Chemical Properties of Hydratropic acid, hexyl ester

Hydratropic acid, hexyl ester

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InChI
InChI=1S/C15H22O2/c1-3-4-5-9-12-17-15(16)13(2)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3
InChI Key
LARAVRJCBZOBAA-UHFFFAOYSA-N
Formula
C15H22O2
SMILES
CCCCCCOC(=O)C(C)c1ccccc1
Molecular Weight1
234.33
Sources

Physical Properties

Property Value Unit Source
Δf -48.53 kJ/mol Joback Calculated Property
Δfgas -366.48 kJ/mol Joback Calculated Property
Δfus 27.91 kJ/mol Joback Calculated Property
Δvap 60.03 kJ/mol Joback Calculated Property
logPoct/wat 3.91 Crippen Calculated Property
Pc 1935.54 kPa Joback Calculated Property
Tboil 645.13 K Joback Calculated Property
Tc 846.21 K Joback Calculated Property
Tfus 342.39 K Joback Calculated Property
Vc 0.79 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 546.83 J/mol×K 645.13 Joback Calculated Property
η 0.00 Pa×s 645.13 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Hydratropic acid, heptyl ester. Hydratropic acid, nonyl ester. Hydratropic acid, tridecyl ester. Hydratropic acid, dodecyl ester. Hydratropic acid, heptadecyl ester. Hydratropic acid, undecyl ester. Hydratropic acid, hexadecyl ester. Hydratropic acid, decyl ester. Hydratropic acid, octyl ester. Hydratropic acid, tetradecyl ester. Hydratropic acid, pentadecyl ester. Hydratropic acid, octadecyl ester. Hydratropic acid, pentyl ester. Hydratropic acid, isohexyl ester. Hydratropic acid, butyl ester.

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