Chemical Properties of 2-(4-Chlorophenyl)-2-oxoethyl ethyldithiocarbamate

InChI

InChI=1S/C11H12ClNOS2/c1-2-13-11(15)16-7-10(14)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,15)

InChI Key

SNMCUPFPILSLNS-UHFFFAOYSA-N

Formula

C11H12ClNOS2

SMILES

CCNC(=S)SCC(=O)c1ccc(Cl)cc1

Molecular Weight¹

273.81

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[243.28; 520.93]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.33200e+00
Coefficient B			1.06720e+00
Coefficient C			-7.60260e-04
Coefficient D			2.09660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	243.28	J/mol×K	273.00	Calculated Property
Cp,gas	296.01	J/mol×K	353.78	Calculated Property
Cp,gas	341.73	J/mol×K	434.56	Calculated Property
Cp,gas	381.09	J/mol×K	515.33	Calculated Property
Cp,gas	414.76	J/mol×K	596.11	Calculated Property
Cp,gas	443.40	J/mol×K	676.89	Calculated Property
Cp,gas	467.67	J/mol×K	757.67	Calculated Property
Cp,gas	488.24	J/mol×K	838.44	Calculated Property
Cp,gas	505.78	J/mol×K	919.22	Calculated Property
Cp,gas	520.93	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-(4-Chlorophenyl)-2-oxoethyl ethyldithiocarbamate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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