Chemical Properties of Benzenesulfonamide, n,n,4-trimethyl-

InChI

InChI=1S/C9H13NO2S/c1-8-4-6-9(7-5-8)13(11,12)10(2)3/h4-7H,1-3H3

InChI Key

WZKOKGOAHBIPCI-UHFFFAOYSA-N

Formula

C9H13NO2S

SMILES

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

Molecular Weight¹

199.28

Other Names

• p-Toluenesulfonamide, N,N-dimethyl-
• N,N-Dimethyl-p-toluenesulfonamide
• N,N,4-Trimethyl-benzenesulfonamide
• 4,N,N-Trimethylbenzenesulfonamide
• N-[(4-Methylphenyl)sulfonyl]dimethylamine
• N,N-dimethyl-p-toluenesulphonamide

• 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	0.4946		Relay (1.0) Calculated Property
ΔfG°	-230.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-238.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.12	kJ/mol	Joback Calculated Property
ΔvapH°	79.02	kJ/mol	Relay (1.0) Calculated Property
IE	8.36	eV	Relay (1.0) Calculated Property
log10WS	-2.59		Relay (1.0) Calculated Property
logPoct/wat	1.245		Crippen Calculated Property
McVol	151.980	ml/mol	McGowan Calculated Property
Pc	3843.54	kPa	Joback Calculated Property
Inp	[1671.00; 1671.00]
Inp	1671.00		NIST
Inp	1671.00		NIST
Tboil	589.18	K	Relay (1.0) Calculated Property
Tc	786.92	K	Relay (1.0) Calculated Property
Tfus	388.65	K	Relay (1.0) Calculated Property
Vc	0.561	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[203.22; 469.34]	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			-2.35000e+00
Coefficient B			8.77950e-01
Coefficient C			-4.76960e-04
Coefficient D			7.07000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	203.22	J/mol×K	273.00	Calculated Property
Cp,gas	251.68	J/mol×K	353.78	Calculated Property
Cp,gas	294.90	J/mol×K	434.56	Calculated Property
Cp,gas	333.10	J/mol×K	515.33	Calculated Property
Cp,gas	366.49	J/mol×K	596.11	Calculated Property
Cp,gas	395.32	J/mol×K	676.89	Calculated Property
Cp,gas	419.79	J/mol×K	757.67	Calculated Property
Cp,gas	440.14	J/mol×K	838.44	Calculated Property
Cp,gas	456.58	J/mol×K	919.22	Calculated Property
Cp,gas	469.34	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenesulfonamide, n,n,4-trimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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