Chemical Properties of Benzenesulfonamide, 4-methyl- (CAS 70-55-3)

InChI

InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)

InChI Key

LMYRWZFENFIFIT-UHFFFAOYSA-N

Formula

C7H9NO2S

SMILES

Cc1ccc(S(N)(=O)=O)cc1

Molecular Weight¹

171.22

CAS

70-55-3

Other Names

• 4-Methylbenzenesulfonamide
• 4-Toluenesulfanamide
• 4-Toluenesulfonamide
• NSC 9908
• Tolouen-4-sulfonamide
• Toluene-4-sulfonamide
• Toluene-p-sulfonamide
• Toluene-p-sulphonamide
• Tolylsulfonamide
• Tosylamide
• Uniplex 173
• p-Methylbenzenesulfonamide
• p-Toluenesulfamide
• p-Toluenesulfanamide
• p-Toluenesulfonamide
• p-Toluenesulfonylamide
• p-Toluenesulphonamide
• p-Tolylsulfonamide
• p-Tosylamide
• para-Toluenesulfonamide
• toluene-4-sulphonamide

• ω : Acentric Factor.
• 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).
• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.5661		Relay (1.0) Calculated Property
ΔfG°	-291.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-258.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.93	kJ/mol	Enthalpies of combustion and formation of benzenesulfonamide and some of its derivatives
ΔvapH°	82.35	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	[-1.74; -1.74]
log10WS	-1.74		Aq. Solubility Prediction
log10WS	-1.74		Estimated Solubility
logPoct/wat	0.642		Crippen Calculated Property
McVol	123.800	ml/mol	McGowan Calculated Property
Pc	5390.71	kPa	Joback Calculated Property
Inp	[1692.00; 1692.00]
Inp	1692.00		NIST
Inp	1692.00		NIST
Tboil	563.44	K	Relay (1.0) Calculated Property
Tc	798.45	K	Relay (1.0) Calculated Property
Tfus	[338.25; 411.65]	K
Tfus	411.65	K	Aq. Solubility Prediction
Tfus	338.25 ± 0.70	K	NIST
Tfus	339.25 ± 0.50	K	NIST
Vc	0.440	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[261.34; 322.46]	J/mol×K	[511.53; 731.06]
Cp,gas	261.34	J/mol×K	511.53	Joback Calculated Property
Cp,gas	273.28	J/mol×K	548.12	Joback Calculated Property
Cp,gas	284.51	J/mol×K	584.71	Joback Calculated Property
Cp,gas	295.04	J/mol×K	621.30	Joback Calculated Property
Cp,gas	304.87	J/mol×K	657.89	Joback Calculated Property
Cp,gas	314.01	J/mol×K	694.48	Joback Calculated Property
Cp,gas	322.46	J/mol×K	731.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenesulfonamide, 4-methyl-.

Mixtures

• Benzenesulfonamide, 4-methyl- + Methyl Alcohol
• Ethanol + Benzenesulfonamide, 4-methyl-
• 1-Propanol + Benzenesulfonamide, 4-methyl-
• Isopropyl Alcohol + Benzenesulfonamide, 4-methyl-
• 1-Butanol + Benzenesulfonamide, 4-methyl-
• Acetonitrile + Benzenesulfonamide, 4-methyl-
• Benzenesulfonamide, 4-methyl- + Ethyl Acetate
• Carbon dioxide + Benzenesulfonamide, 4-methyl-
• Carbon dioxide + Ethanol + Benzenesulfonamide, 4-methyl-
• Carbon dioxide + 1,2-Ethanediol + Benzenesulfonamide, 4-methyl-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Enthalpies of combustion and formation of benzenesulfonamide and some of its derivatives
• Solubility and Mixing Thermodynamics Properties of p-Toluenesulfonamide and o-Toluenesulfonamide in Seven Monosolvents at Different Temperatures
• Solubility of p-Toluenesulfonamide in Pure and Modified Supercritical Carbon Dioxide
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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