Chemical Properties of 1-(([(Diethylamino)carbonyl]amino)sulfonyl)-4-methylbenzene (CAS 23730-10-1)

InChI

InChI=1S/C12H18N2O3S/c1-4-14(5-2)12(15)13-18(16,17)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3,(H,13,15)

InChI Key

QZJMCHATEVRINW-UHFFFAOYSA-N

Formula

C12H18N2O3S

SMILES

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

Molecular Weight¹

270.35

CAS

23730-10-1

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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, 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	[283.97; 650.02]	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			1.07200e+00
Coefficient B			1.21115e+00
Coefficient C			-6.70060e-04
Coefficient D			1.07860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	283.97	J/mol×K	273.00	Calculated Property
Cp,gas	350.46	J/mol×K	353.78	Calculated Property
Cp,gas	409.70	J/mol×K	434.56	Calculated Property
Cp,gas	462.03	J/mol×K	515.33	Calculated Property
Cp,gas	507.79	J/mol×K	596.11	Calculated Property
Cp,gas	547.33	J/mol×K	676.89	Calculated Property
Cp,gas	580.98	J/mol×K	757.67	Calculated Property
Cp,gas	609.08	J/mol×K	838.44	Calculated Property
Cp,gas	631.98	J/mol×K	919.22	Calculated Property
Cp,gas	650.02	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-(([(Diethylamino)carbonyl]amino)sulfonyl)-4-methylbenzene.

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

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