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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [297.48; 653.49] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.13420e+01
Coefficient B1.23965e+00
Coefficient C-7.40660e-04
Coefficient D1.43160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 297.48 J/mol×K 273.00 Calculated Property
Cp,gas 363.54 J/mol×K 353.78 Calculated Property
Cp,gas 421.92 J/mol×K 434.56 Calculated Property
Cp,gas 473.07 J/mol×K 515.33 Calculated Property
Cp,gas 517.44 J/mol×K 596.11 Calculated Property
Cp,gas 555.49 J/mol×K 676.89 Calculated Property
Cp,gas 587.67 J/mol×K 757.67 Calculated Property
Cp,gas 614.42 J/mol×K 838.44 Calculated Property
Cp,gas 636.22 J/mol×K 919.22 Calculated Property
Cp,gas 653.49 J/mol×K 1000.00 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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