Chemical Properties of Methylsulphonamide, N-ethyl-N-isobutyl-

InChI

InChI=1S/C7H17NO2S/c1-5-8(6-7(2)3)11(4,9)10/h7H,5-6H2,1-4H3

InChI Key

VKAUPUOOPOJGEW-UHFFFAOYSA-N

Formula

C7H17NO2S

SMILES

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

Molecular Weight¹

179.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.76	kJ/mol	Joback Calculated Property
log10WS	-1.81		Relay (1.0) Calculated Property
logPoct/wat	0.924		Crippen Calculated Property
McVol	147.560	ml/mol	McGowan Calculated Property
Inp	[1446.00; 1446.00]
Inp	1446.00		NIST
Inp	1446.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[215.19; 488.26]	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			1.73920e+01
Coefficient B			8.32270e-01
Coefficient C			-4.07200e-04
Coefficient D			4.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.19	J/mol×K	273.00	Calculated Property
Cp,gas	262.89	J/mol×K	353.78	Calculated Property
Cp,gas	305.92	J/mol×K	434.56	Calculated Property
Cp,gas	344.42	J/mol×K	515.33	Calculated Property
Cp,gas	378.52	J/mol×K	596.11	Calculated Property
Cp,gas	408.38	J/mol×K	676.89	Calculated Property
Cp,gas	434.14	J/mol×K	757.67	Calculated Property
Cp,gas	455.94	J/mol×K	838.44	Calculated Property
Cp,gas	473.94	J/mol×K	919.22	Calculated Property
Cp,gas	488.26	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Methylsulphonamide, 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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