Chemical Properties of Diethylmalonic acid, isobutyl 2-methylthiophenyl ester

Diethylmalonic acid, isobutyl 2-methylthiophenyl ester

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InChI
InChI=1S/C18H26O4S/c1-6-18(7-2,16(19)21-12-13(3)4)17(20)22-14-10-8-9-11-15(14)23-5/h8-11,13H,6-7,12H2,1-5H3
InChI Key
MOMQNSKGYNJAIK-UHFFFAOYSA-N
Formula
C18H26O4S
SMILES
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1ccccc1SC
Molecular Weight1
338.46
Sources

Physical Properties

Property Value Unit Source
Δf -230.86 kJ/mol Joback Calculated Property
Δfgas -651.55 kJ/mol Joback Calculated Property
Δfus 34.79 kJ/mol Joback Calculated Property
Δvap 82.05 kJ/mol Joback Calculated Property
logPoct/wat 4.32 Crippen Calculated Property
Pc 1607.71 kPa Joback Calculated Property
Tboil 860.59 K Joback Calculated Property
Tc 1083.16 K Joback Calculated Property
Tfus 497.70 K Joback Calculated Property
Vc 1.02 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 821.03 J/mol×K 860.59 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 1
-CH3 5
=CH- (ring) 4
-CH2- 3
=C< (ring) 2
-S- 1
>C< 1
>C=O (nonring) 2

Similar Compounds

Diethylmalonic acid, 2-methylthiophenyl propyl ester. Diethylmalonic acid, butyl 2-methylthiophenyl ester. Diethylmalonic acid, 2-methylthiophenyl pentyl ester. Diethylmalonic acid, hexyl 2-methylthiophenyl ester. Diethylmalonic acid, 2-methylthiophenyl nonyl ester. Diethylmalonic acid, hexadecyl 2-methylthiophenyl ester. Diethylmalonic acid, 2-methylthiophenyl tridecyl ester. Diethylmalonic acid, 2-methylthiophenyl pentadecyl ester. Diethylmalonic acid, 2-methylthiophenyl tetradecyl ester. Diethylmalonic acid, heptyl 2-methylthiophenyl ester. Diethylmalonic acid, decyl 2-methylthiophenyl ester. Diethylmalonic acid, dodecyl 2-methylthiophenyl ester. Diethylmalonic acid, 2-methylthiophenyl octyl ester. Diethylmalonic acid, di(2-methylthiophenyl) ester. Diethylmalonic acid, isobutyl 4-methoxyphenyl ester.

Find more compounds similar to Diethylmalonic acid, isobutyl 2-methylthiophenyl ester.

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