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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 30.97 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 [594.38; 656.90] J/mol×K [784.52; 1020.45] Show Hide
Cp,gas 594.38 J/mol×K 784.52 Joback Calculated Property
Cp,gas 607.48 J/mol×K 823.84 Joback Calculated Property
Cp,gas 619.45 J/mol×K 863.16 Joback Calculated Property
Cp,gas 630.32 J/mol×K 902.48 Joback Calculated Property
Cp,gas 640.15 J/mol×K 941.80 Joback Calculated Property
Cp,gas 648.99 J/mol×K 981.12 Joback Calculated Property
Cp,gas 656.90 J/mol×K 1020.45 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.