Chemical Properties of Diethylmalonic acid, di(2-methylthiophenyl) ester

Diethylmalonic acid, di(2-methylthiophenyl) ester

InChI
InChI=1S/C21H24O4S2/c1-5-21(6-2,19(22)24-15-11-7-9-13-17(15)26-3)20(23)25-16-12-8-10-14-18(16)27-4/h7-14H,5-6H2,1-4H3
InChI Key
ZYKIUWUJXHNJIR-UHFFFAOYSA-N
Formula
C21H24O4S2
SMILES
CCC(CC)(C(=O)Oc1ccccc1SC)C(=O)Oc1ccccc1SC
Molecular Weight1
404.55
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Physical Properties

Property Value Unit Source
ΔfusH° 43.87 kJ/mol Joback Calculated Property
IE 7.94 eV Relay (1.0) Calculated Property
logPoct/wat 5.448 Crippen Calculated Property
McVol 306.810 ml/mol McGowan Calculated Property
Inp 2971.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 [937.38; 973.04] J/mol×K [1030.11; 1285.90] Show Hide
Cp,gas 937.38 J/mol×K 1030.11 Joback Calculated Property
Cp,gas 947.34 J/mol×K 1072.74 Joback Calculated Property
Cp,gas 955.61 J/mol×K 1115.37 Joback Calculated Property
Cp,gas 962.26 J/mol×K 1158.00 Joback Calculated Property
Cp,gas 967.34 J/mol×K 1200.64 Joback Calculated Property
Cp,gas 970.91 J/mol×K 1243.27 Joback Calculated Property
Cp,gas 973.04 J/mol×K 1285.90 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Diethylmalonic acid, di(2-methylthiophenyl) ester.

Sources

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