Chemical Properties of Benzenesulfonamide, N-butyl-4-methyl- (CAS 1907-65-9)

InChI

InChI=1S/C11H17NO2S/c1-3-4-9-12-15(13,14)11-7-5-10(2)6-8-11/h5-8,12H,3-4,9H2,1-2H3

InChI Key

RQUXYBHREKXNKT-UHFFFAOYSA-N

Formula

C11H17NO2S

SMILES

CCCCNS(=O)(=O)c1ccc(C)cc1

Molecular Weight¹

227.32

CAS

1907-65-9

Other Names

• p-Toluenesulfonamide, N-butyl-
• N-Butyl-p-toluenesulfonamide
• N-Tosylbutylamine
• n-Butyl-4-toluenesulfonamide
• N-n-Butyl-4-toluenesulfonamide
• N-n-Butyl-p-toluene sulfonamide
• 4-(N-1-Butyl)toluenesulfonamide
• n-Butyl-4-methylbenzenesulfonamide
• NSC 2180
• N-butyltoluene-4-sulphonamide

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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	[246.32; 571.38]	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			5.31300e+00
Coefficient B			1.02023e+00
Coefficient C			-5.21760e-04
Coefficient D			6.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	246.32	J/mol×K	273.00	Calculated Property
Cp,gas	303.94	J/mol×K	353.78	Calculated Property
Cp,gas	355.68	J/mol×K	434.56	Calculated Property
Cp,gas	401.76	J/mol×K	515.33	Calculated Property
Cp,gas	442.40	J/mol×K	596.11	Calculated Property
Cp,gas	477.80	J/mol×K	676.89	Calculated Property
Cp,gas	508.19	J/mol×K	757.67	Calculated Property
Cp,gas	533.77	J/mol×K	838.44	Calculated Property
Cp,gas	554.77	J/mol×K	919.22	Calculated Property
Cp,gas	571.38	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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

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