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

InChI

InChI=1S/C6H15NO2S/c1-4-6-7(5-2)10(3,8)9/h4-6H2,1-3H3

InChI Key

QLFWVEHQNOBTCP-UHFFFAOYSA-N

Formula

C6H15NO2S

SMILES

CCCN(CC)S(C)(=O)=O

Molecular Weight¹

165.25

• 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°	25.70	kJ/mol	Joback Calculated Property
log10WS	-1.33		Relay (1.0) Calculated Property
logPoct/wat	0.678		Crippen Calculated Property
McVol	133.470	ml/mol	McGowan Calculated Property
Inp	[1385.00; 1385.00]
Inp	1385.00		NIST
Inp	1385.00		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	[194.29; 436.13]	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			1.99830e+01
Coefficient B			7.31350e-01
Coefficient C			-3.49600e-04
Coefficient D			3.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.29	J/mol×K	273.00	Calculated Property
Cp,gas	236.49	J/mol×K	353.78	Calculated Property
Cp,gas	274.60	J/mol×K	434.56	Calculated Property
Cp,gas	308.74	J/mol×K	515.33	Calculated Property
Cp,gas	339.01	J/mol×K	596.11	Calculated Property
Cp,gas	365.52	J/mol×K	676.89	Calculated Property
Cp,gas	388.37	J/mol×K	757.67	Calculated Property
Cp,gas	407.69	J/mol×K	838.44	Calculated Property
Cp,gas	423.57	J/mol×K	919.22	Calculated Property
Cp,gas	436.13	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Methylsulphonamide, N-ethyl-N-propyl-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.