Chemical Properties of 2-Mercaptoacetanilide (CAS 4822-44-0)

InChI

InChI=1S/C8H9NOS/c10-8(6-11)9-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)

InChI Key

DLVKRCGYGJZXFK-UHFFFAOYSA-N

Formula

C8H9NOS

SMILES

O=C(CS)Nc1ccccc1

Molecular Weight¹

167.23

CAS

4822-44-0

Other Names

• Thioglycolanilide
• Thioglycolylanilide
• Acetamide, 2-mercapto-N-phenyl-
• Acetanilide, «alpha»-mercapto-
• Acetanilide, 2-mercapto-
• N-Phenyl-2-mercaptoacetamide
• Thioglycolic acid anilide
• USAF EK-6583
• «alpha»-Mercaptoacetanilide
• alpha-Mercaptoacetanilide
• NSC 2126

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[155.83; 364.81]	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			-1.72490e+01
Coefficient B			7.60400e-01
Coefficient C			-4.94900e-04
Coefficient D			1.16560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.83	J/mol×K	273.00	Calculated Property
Cp,gas	194.98	J/mol×K	353.78	Calculated Property
Cp,gas	229.30	J/mol×K	434.56	Calculated Property
Cp,gas	259.13	J/mol×K	515.33	Calculated Property
Cp,gas	284.86	J/mol×K	596.11	Calculated Property
Cp,gas	306.85	J/mol×K	676.89	Calculated Property
Cp,gas	325.48	J/mol×K	757.67	Calculated Property
Cp,gas	341.10	J/mol×K	838.44	Calculated Property
Cp,gas	354.09	J/mol×K	919.22	Calculated Property
Cp,gas	364.81	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Mercaptoacetanilide.

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

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.
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