Chemical Properties of Diethylmalonic acid, monochloride, 2-methylthiophenyl ester

Diethylmalonic acid, monochloride, 2-methylthiophenyl ester

InChI
InChI=1S/C14H17ClO3S/c1-4-14(5-2,12(15)16)13(17)18-10-8-6-7-9-11(10)19-3/h6-9H,4-5H2,1-3H3
InChI Key
QOYLFIHGOKUTSU-UHFFFAOYSA-N
Formula
C14H17ClO3S
SMILES
CCC(CC)(C(=O)Cl)C(=O)Oc1ccccc1SC
Molecular Weight1
300.81
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Physical Properties

Property Value Unit Source
ΔfusH° 32.55 kJ/mol Joback Calculated Property
IE 8.26 eV Relay (1.0) Calculated Property
logPoct/wat 3.886 Crippen Calculated Property
McVol 221.960 ml/mol McGowan Calculated Property
Inp 2045.00 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 [590.90; 653.70] J/mol×K [766.65; 1001.08] Show Hide
Cp,gas 590.90 J/mol×K 766.65 Joback Calculated Property
Cp,gas 604.21 J/mol×K 805.72 Joback Calculated Property
Cp,gas 616.31 J/mol×K 844.79 Joback Calculated Property
Cp,gas 627.26 J/mol×K 883.87 Joback Calculated Property
Cp,gas 637.11 J/mol×K 922.94 Joback Calculated Property
Cp,gas 645.90 J/mol×K 962.01 Joback Calculated Property
Cp,gas 653.70 J/mol×K 1001.08 Joback Calculated Property

Similar Compounds

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

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

Sources

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