Chemical Properties of Toluenesulfonamide, alpha-

InChI

InChI=1S/C7H9NO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)

InChI Key

ABOYDMHGKWRPFD-UHFFFAOYSA-N

Formula

C7H9NO2S

SMILES

NS(=O)(=O)Cc1ccccc1

Molecular Weight¹

171.22

Other Names

• Benzylsulfonamide
• Methanesulfonamide, 1-phenyl-
• Phenylmethanesulfonamide
• Toluene-«omega»-sulfonamide
• toluene-«alpha»-sulphonamide
• «alpha»-Toluenesulfonamide

• ω : Acentric Factor.
• 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.11; 367.14]	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			2.35100e+00
Coefficient B			6.85390e-01
Coefficient C			-3.66000e-04
Coefficient D			4.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.11	J/mol×K	273.00	Calculated Property
Cp,gas	201.03	J/mol×K	353.78	Calculated Property
Cp,gas	234.80	J/mol×K	434.56	Calculated Property
Cp,gas	264.57	J/mol×K	515.33	Calculated Property
Cp,gas	290.48	J/mol×K	596.11	Calculated Property
Cp,gas	312.67	J/mol×K	676.89	Calculated Property
Cp,gas	331.29	J/mol×K	757.67	Calculated Property
Cp,gas	346.48	J/mol×K	838.44	Calculated Property
Cp,gas	358.38	J/mol×K	919.22	Calculated Property
Cp,gas	367.14	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Toluenesulfonamide, alpha-.

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)
• 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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