Chemical Properties of 4-Acetylamino-benzenesulfonyl chloride

InChI

InChI=1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)

InChI Key

GRDXCFKBQWDAJH-UHFFFAOYSA-N

Formula

C8H8ClNO3S

SMILES

CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1

Molecular Weight¹

233.68

Other Names

• 4'-(Chlorosulfonyl)acetanilide
• 4-Acetamidobenzenesulfonyl chloride
• 4-Acetamidophenylsulfonyl chloride
• 4-Chlorosulfonylacetanilide
• ASC
• Acetanilide-p-sulfonyl chloride
• Acetylsulfanilyl chloride
• Benzenesulfonyl chloride, 4-(acetylamino)-
• Dagenan chloride
• N-acetylsulphanilyl chloride
• N4-Acetylsulfanilyl chloride
• NSC 127860
• P-acetamidobenzene sulfonyl chloride
• Sulfanilyl chloride, N-acetyl-
• p-(Chlorosulfonyl)acetanilide
• p-Acetamidobenzenesulfonyl chloride
• p-Acetamidophenylsulfonyl chloride
• p-Acetaminobenzenesulfonyl chloride
• p-Acetyl aminobenzene sulfonyl chloride
• p-Acetylaminobenzenesulfochloride

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 formation at standard conditions, 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	[197.01; 413.90]	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			2.82900e+01
Coefficient B			7.14010e-01
Coefficient C			-3.60260e-04
Coefficient D			3.18600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.01	J/mol×K	273.00	Calculated Property
Cp,gas	237.21	J/mol×K	353.78	Calculated Property
Cp,gas	273.15	J/mol×K	434.56	Calculated Property
Cp,gas	304.93	J/mol×K	515.33	Calculated Property
Cp,gas	332.65	J/mol×K	596.11	Calculated Property
Cp,gas	356.41	J/mol×K	676.89	Calculated Property
Cp,gas	376.32	J/mol×K	757.67	Calculated Property
Cp,gas	392.47	J/mol×K	838.44	Calculated Property
Cp,gas	404.96	J/mol×K	919.22	Calculated Property
Cp,gas	413.90	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Acetylamino-benzenesulfonyl chloride.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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