Chemical Properties of Benzenesulfonamide, N-cyclohexyl-4-methyl- (CAS 80-30-8)

InChI

InChI=1S/C13H19NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3

InChI Key

DKYVVNLWACXMDW-UHFFFAOYSA-N

Formula

C13H19NO2S

SMILES

Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1

Molecular Weight¹

253.36

CAS

80-30-8

Other Names

• p-Toluenesulfonamide, N-cyclohexyl-
• N-Cyclohexyl-p-toluenesulfonamide
• N-Cyclohexyl-4-toluenesulfonamide
• Santicizer 1H
• N-Cyclohexyl-4-methylbenzenesulfonamide
• 4-Toluenesulfonamide, N-cyclohexyl-
• N-cyclohexyltoluene-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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-347.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.39	kJ/mol	Joback Calculated Property
ΔvapH°	98.04	kJ/mol	Relay (1.0) Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-3.38		Relay (1.0) Calculated Property
logPoct/wat	2.606		Crippen Calculated Property
McVol	197.480	ml/mol	McGowan Calculated Property
Inp	[356.63; 356.63]
Inp	356.63		NIST
Inp	356.63		NIST
Tfus	379.00	K	Relay (1.0) Calculated Property

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	[250.63; 659.64]	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			-6.21100e+01
Coefficient B			1.33231e+00
Coefficient C			-7.11560e-04
Coefficient D			1.01000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	250.63	J/mol×K	273.00	Calculated Property
Cp,gas	324.65	J/mol×K	353.78	Calculated Property
Cp,gas	390.77	J/mol×K	434.56	Calculated Property
Cp,gas	449.33	J/mol×K	515.33	Calculated Property
Cp,gas	500.64	J/mol×K	596.11	Calculated Property
Cp,gas	545.02	J/mol×K	676.89	Calculated Property
Cp,gas	582.79	J/mol×K	757.67	Calculated Property
Cp,gas	614.27	J/mol×K	838.44	Calculated Property
Cp,gas	639.78	J/mol×K	919.22	Calculated Property
Cp,gas	659.64	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenesulfonamide, N-cyclohexyl-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

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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