Chemical Properties of N-(2-Methoxypropionyl)-4,N-dimethyl-benzenesulfonamide

InChI

InChI=1S/C12H17NO4S/c1-9-5-7-11(8-6-9)18(15,16)13(3)12(14)10(2)17-4/h5-8,10H,1-4H3

InChI Key

GWAXTTJRMWNOGT-UHFFFAOYSA-N

Formula

C12H17NO4S

SMILES

COC(C)C(=O)N(C)S(=O)(=O)c1ccc(C)cc1

Molecular Weight¹

271.34

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.15	kJ/mol	Joback Calculated Property
log10WS	-2.17		Relay (1.0) Calculated Property
logPoct/wat	1.177		Crippen Calculated Property
McVol	201.690	ml/mol	McGowan Calculated Property
Inp	[1980.00; 1980.00]
Inp	1980.00		NIST
Inp	1980.00		NIST
Tboil	615.05	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[282.88; 632.17]	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			2.61000e+01
Coefficient B			1.07767e+00
Coefficient C			-5.13660e-04
Coefficient D			4.20600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	282.88	J/mol×K	273.00	Calculated Property
Cp,gas	344.93	J/mol×K	353.78	Calculated Property
Cp,gas	400.86	J/mol×K	434.56	Calculated Property
Cp,gas	450.80	J/mol×K	515.33	Calculated Property
Cp,gas	494.89	J/mol×K	596.11	Calculated Property
Cp,gas	533.26	J/mol×K	676.89	Calculated Property
Cp,gas	566.04	J/mol×K	757.67	Calculated Property
Cp,gas	593.36	J/mol×K	838.44	Calculated Property
Cp,gas	615.36	J/mol×K	919.22	Calculated Property
Cp,gas	632.17	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-(2-Methoxypropionyl)-4,N-dimethyl-benzenesulfonamide.

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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