Chemical Properties of Benzenesulfonamide, 4-methyl-N-ethyl-N-isobutyl-

InChI

InChI=1S/C13H21NO2S/c1-5-14(10-11(2)3)17(15,16)13-8-6-12(4)7-9-13/h6-9,11H,5,10H2,1-4H3

InChI Key

YRYKEXZBFSZSMB-UHFFFAOYSA-N

Formula

C13H21NO2S

SMILES

CCN(CC(C)C)S(=O)(=O)c1ccc(C)cc1

Molecular Weight¹

255.38

• 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).
• 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	-352.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.95	kJ/mol	Joback Calculated Property
IE	7.99	eV	Relay (1.0) Calculated Property
log10WS	-4.35		Relay (1.0) Calculated Property
logPoct/wat	2.662		Crippen Calculated Property
McVol	208.340	ml/mol	McGowan Calculated Property
Inp	[2043.00; 2043.00]
Inp	2043.00		NIST
Inp	2043.00		NIST
Tfus	335.62	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[518.46; 610.23]	J/mol×K	[588.48; 781.78]
Cp,gas	518.46	J/mol×K	588.48	Joback Calculated Property
Cp,gas	536.16	J/mol×K	620.70	Joback Calculated Property
Cp,gas	552.86	J/mol×K	652.91	Joback Calculated Property
Cp,gas	568.60	J/mol×K	685.13	Joback Calculated Property
Cp,gas	583.39	J/mol×K	717.34	Joback Calculated Property
Cp,gas	597.26	J/mol×K	749.56	Joback Calculated Property
Cp,gas	610.23	J/mol×K	781.78	Joback Calculated Property

Similar Compounds

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

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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