Chemical Properties of 2-Methoxyaniline-5-sulfonic acid diethylamide (CAS 97-35-8)

InChI

InChI=1S/C11H18N2O3S/c1-4-13(5-2)17(14,15)9-6-7-11(16-3)10(12)8-9/h6-8H,4-5,12H2,1-3H3

InChI Key

WBGVVXSCGNGJFL-UHFFFAOYSA-N

Formula

C11H18N2O3S

SMILES

CCN(CC)S(=O)(=O)c1ccc(OC)c(N)c1

Molecular Weight¹

258.34

CAS

97-35-8

Other Names

• N',N'-Diethyl-3-amino-4-methoxybenzenesulfonamide
• Fast Red ITR Base
• Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-
• Azoic diazo component 42, base
• Brentamine Fast Red ITR Base
• C.I. 37150
• Metanilamide, N1,N1-diethyl-4-methoxy-
• N1,N1-Diethyl-4-methoxymetanilamide
• Orle Base Fast Red ITR
• Red ITR base
• 2-Methoxy-5-(diethylaminosulfonyl)aniline
• 2-Methoxy-5-(diethylsulfamoyl)aniline
• 2-Methoxy-5-(N,N-diethylsulfamoyl)aniline
• NSC 50670
• 3-amino-N,N-diethyl-4-methoxybenzenesulphonamide

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

Physical Properties

Cheméo can also estimate 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	[283.98; 623.95]	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			4.21220e+01
Coefficient B			1.00715e+00
Coefficient C			-4.51120e-04
Coefficient D			2.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	283.98	J/mol×K	273.00	Calculated Property
Cp,gas	343.11	J/mol×K	353.78	Calculated Property
Cp,gas	396.71	J/mol×K	434.56	Calculated Property
Cp,gas	444.87	J/mol×K	515.33	Calculated Property
Cp,gas	487.66	J/mol×K	596.11	Calculated Property
Cp,gas	525.16	J/mol×K	676.89	Calculated Property
Cp,gas	557.46	J/mol×K	757.67	Calculated Property
Cp,gas	584.64	J/mol×K	838.44	Calculated Property
Cp,gas	606.77	J/mol×K	919.22	Calculated Property
Cp,gas	623.95	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methoxyaniline-5-sulfonic acid diethylamide.

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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