Chemical Properties of Hydratropic acid, isopropyl ester

Hydratropic acid, isopropyl ester

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InChI
InChI=1S/C12H16O2/c1-9(2)14-12(13)10(3)11-7-5-4-6-8-11/h4-10H,1-3H3
InChI Key
PLBPZACPOTWOJD-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
CC(C)OC(=O)C(C)c1ccccc1
Molecular Weight1
192.25
Sources

Physical Properties

Property Value Unit Source
Δf -76.23 kJ/mol Joback Calculated Property
Δfgas -309.84 kJ/mol Joback Calculated Property
Δfus 16.62 kJ/mol Joback Calculated Property
Δvap 52.96 kJ/mol Joback Calculated Property
logPoct/wat 2.74 Crippen Calculated Property
Pc 2558.51 kPa Joback Calculated Property
Tboil 576.05 K Joback Calculated Property
Tc 790.82 K Joback Calculated Property
Tfus 293.58 K Joback Calculated Property
Vc 0.61 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 394.78 J/mol×K 576.05 Joback Calculated Property
η 0.00 Pa×s 576.05 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-CH3 3
=CH- (ring) 5
=C< (ring) 1
>C=O (nonring) 1

Similar Compounds

Hydratropic acid, butyl ester. Benzeneacetic acid, «alpha»-methyl-, methyl ester. Hydratropic acid, pentyl ester. Hydratropic acid, hexyl ester. Hydratropic acid, heptyl ester. Hydratropic acid, isohexyl ester. Ibuprofen, ethyl ester. Hydratropic acid, heptadecyl ester. Hydratropic acid, octadecyl ester. Hydratropic acid, decyl ester. Hydratropic acid, hexadecyl ester. Hydratropic acid, undecyl ester. Hydratropic acid, nonyl ester. Hydratropic acid, tridecyl ester. Hydratropic acid, tetradecyl ester.

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