Chemical Properties of Octanoic acid, 3-methylphenyl ester

Octanoic acid, 3-methylphenyl ester

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InChI
InChI=1S/C15H22O2/c1-3-4-5-6-7-11-15(16)17-14-10-8-9-13(2)12-14/h8-10,12H,3-7,11H2,1-2H3
InChI Key
VPZWDKNEKVKFOJ-UHFFFAOYSA-N
Formula
C15H22O2
SMILES
CCCCCCCC(=O)Oc1cccc(C)c1
Molecular Weight1
234.33
Sources

Physical Properties

Property Value Unit Source
Δf -55.72 kJ/mol Joback Calculated Property
Δfgas -372.67 kJ/mol Joback Calculated Property
Δfus 31.04 kJ/mol Joback Calculated Property
Δvap 61.08 kJ/mol Joback Calculated Property
logPoct/wat 4.26 Crippen Calculated Property
Pc 1896.95 kPa Joback Calculated Property
Tboil 650.55 K Joback Calculated Property
Tc 848.93 K Joback Calculated Property
Tfus 369.91 K Joback Calculated Property
Vc 0.79 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 546.11 J/mol×K 650.55 Joback Calculated Property
η 0.00 Pa×s 650.55 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Sebacic acid, di(3-methylphenyl) ester. Nonoic acid, 3-methylphenyl ester. Myristic acid, 3-methylphenyl ester. Valeric acid, 3-methylphenyl ester. Sebacic acid, di(3,5-dimethylphenyl) ester. Octanoic acid, 3,5-dimethylphenyl ester. Lauric acid, 3,5-dimethylphenyl ester. 6-Chlorohexanoic acid, 3-methylphenyl ester. 3-Cyclopentylpropionic acid, 3-methylphenyl ester. 5-Bromovaleric acid, 3-methylphenyl ester. Glutaric acid, di(3-methylphenyl) ester. Sebacic acid, ethyl 3-methylphenyl ester. Butanoic acid, 3-methylphenyl ester. 5-Chlorovaleric acid, 3-methylphenyl ester. Sebacic acid, di(3-ethylphenyl) ester.

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