Chemical Properties of Myristic acid, 3-methylphenyl ester

Myristic acid, 3-methylphenyl ester

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InChI
InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-17-21(22)23-20-16-14-15-19(2)18-20/h14-16,18H,3-13,17H2,1-2H3
InChI Key
JDEVARUXESBALF-UHFFFAOYSA-N
Formula
C21H34O2
SMILES
CCCCCCCCCCCCCC(=O)Oc1cccc(C)c1
Molecular Weight1
318.49
Sources

Physical Properties

Property Value Unit Source
Δf -5.20 kJ/mol Joback Calculated Property
Δfgas -496.51 kJ/mol Joback Calculated Property
Δfus 46.58 kJ/mol Joback Calculated Property
Δvap 74.43 kJ/mol Joback Calculated Property
logPoct/wat 6.60 Crippen Calculated Property
Pc 1212.36 kPa Joback Calculated Property
Tboil 787.83 K Joback Calculated Property
Tc 979.38 K Joback Calculated Property
Tfus 437.53 K Joback Calculated Property
Vc 1.13 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 885.17 J/mol×K 787.83 Joback Calculated Property
η 0.00 Pa×s 787.83 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 12
-CH3 2

Similar Compounds

Sebacic acid, di(3-methylphenyl) ester. Octanoic acid, 3-methylphenyl ester. Nonoic 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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