Chemical Properties of Diethylmalonic acid, 2-methylthiophenyl pentyl ester

Diethylmalonic acid, 2-methylthiophenyl pentyl ester

InChI
InChI=1S/C19H28O4S/c1-5-8-11-14-22-17(20)19(6-2,7-3)18(21)23-15-12-9-10-13-16(15)24-4/h9-10,12-13H,5-8,11,14H2,1-4H3
InChI Key
XOIVTZFXAROWIQ-UHFFFAOYSA-N
Formula
C19H28O4S
SMILES
CCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1SC
Molecular Weight1
352.50
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Physical Properties

Property Value Unit Source
ΔfusH° 44.07 kJ/mol Joback Calculated Property
log10WS -4.76 Relay (1.0) Calculated Property
logPoct/wat 4.854 Crippen Calculated Property
McVol 286.040 ml/mol McGowan Calculated Property
Pc 1392.29 kPa Joback Calculated Property
Inp 2365.00 NIST
Tboil 628.47 K Relay (1.0) Calculated Property
Tfus 309.74 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [867.32; 938.22] J/mol×K [847.97; 1062.39] Show Hide
Cp,gas 867.32 J/mol×K 847.97 Joback Calculated Property
Cp,gas 882.39 J/mol×K 883.71 Joback Calculated Property
Cp,gas 896.11 J/mol×K 919.44 Joback Calculated Property
Cp,gas 908.51 J/mol×K 955.18 Joback Calculated Property
Cp,gas 919.64 J/mol×K 990.91 Joback Calculated Property
Cp,gas 929.53 J/mol×K 1026.65 Joback Calculated Property
Cp,gas 938.22 J/mol×K 1062.39 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, hexadecyl 2-methylthiophenyl ester. Diethylmalonic acid, 2-methylthiophenyl octyl ester. Diethylmalonic acid, hexyl 2-methylthiophenyl ester. Diethylmalonic acid, 2-methylthiophenyl tridecyl ester. Diethylmalonic acid, 2-methylthiophenyl tetradecyl ester. Diethylmalonic acid, 2-methylthiophenyl nonyl ester. Diethylmalonic acid, 2-methylthiophenyl pentadecyl ester. Diethylmalonic acid, heptyl 2-methylthiophenyl ester. Diethylmalonic acid, dodecyl 2-methylthiophenyl ester. Diethylmalonic acid, decyl 2-methylthiophenyl ester. Diethylmalonic acid, butyl 2-methylthiophenyl ester. Diethylmalonic acid, 2-methylthiophenyl propyl ester. Diethylmalonic acid, isobutyl 2-methylthiophenyl ester. Diethylmalonic acid, 2-fluorophenyl heptyl ester. Diethylmalonic acid, 2-fluorophenyl nonyl ester.

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

Sources

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