Chemical Properties of 2-(4-Chlorophenyl)-2-oxoethyl ethyldithiocarbamate (CAS 116401-18-4)

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

273.80

CAS

116401-18-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[469.14; 523.61]	J/mol×K	[763.03; 1015.45]
Cp,gas	469.14	J/mol×K	763.03	Joback Calculated Property
Cp,gas	480.16	J/mol×K	805.10	Joback Calculated Property
Cp,gas	490.27	J/mol×K	847.17	Joback Calculated Property
Cp,gas	499.58	J/mol×K	889.24	Joback Calculated Property
Cp,gas	508.18	J/mol×K	931.31	Joback Calculated Property
Cp,gas	516.16	J/mol×K	973.38	Joback Calculated Property
Cp,gas	523.61	J/mol×K	1015.45	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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