Chemical Properties of Dimethylmalonic acid, isohexyl 2-phenethyl ester

Dimethylmalonic acid, isohexyl 2-phenethyl ester

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InChI
InChI=1S/C19H28O4/c1-15(2)9-8-13-22-17(20)19(3,4)18(21)23-14-12-16-10-6-5-7-11-16/h5-7,10-11,15H,8-9,12-14H2,1-4H3
InChI Key
AENCDLIBAUVBGF-UHFFFAOYSA-N
Formula
C19H28O4
SMILES
CC(C)CCCOC(=O)C(C)(C)C(=O)OCCc1ccccc1
Molecular Weight1
320.42
Sources

Physical Properties

Property Value Unit Source
Δf -245.93 kJ/mol Joback Calculated Property
Δfgas -702.59 kJ/mol Joback Calculated Property
Δfus 33.64 kJ/mol Joback Calculated Property
Δvap 76.79 kJ/mol Joback Calculated Property
logPoct/wat 3.78 Crippen Calculated Property
Pc 1488.44 kPa Joback Calculated Property
Tboil 809.71 K Joback Calculated Property
Tc 1016.99 K Joback Calculated Property
Tfus 462.05 K Joback Calculated Property
Vc 1.02 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 821.57 J/mol×K 809.71 Joback Calculated Property
η 0.00 Pa×s 809.71 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 4
=CH- (ring) 5
=C< (ring) 1
-CH2- 5
>C< 1
>C=O (nonring) 2

Similar Compounds

Dimethylmalonic acid, pentyl 2-phenethyl ester. Dimethylmalonic acid, butyl 2-phenethyl ester. Dimethylmalonic acid, heptyl 2-phenethyl ester. Dimethylmalonic acid, dodecyl 2-phenethyl ester. Dimethylmalonic acid, hexadecyl 2-phenethyl ester. Dimethylmalonic acid, heptadecyl 2-phenethyl ester. Dimethylmalonic acid, octyl 2-phenethyl ester. Dimethylmalonic acid, octadecyl 2-phenethyl ester. Dimethylmalonic acid, nonyl 2-phenethyl ester. Dimethylmalonic acid, pentadecyl 2-phenethyl ester. Dimethylmalonic acid, 2-phenethyl tridecyl ester. Dimethylmalonic acid, 2-phenethyl undecyl ester. Dimethylmalonic acid, 2-phenethyl propyl ester. Dimethylmalonic acid, isobutyl 2-phenethyl ester. Dimethylmalonic acid, di(2-phenethyl) ester.

Find more compounds similar to Dimethylmalonic acid, isohexyl 2-phenethyl ester.

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