Chemical Properties of Acetanilide, 4'-(methylsulfonyl)-

InChI

InChI=1S/C9H11NO3S/c1-7(11)10-8-3-5-9(6-4-8)14(2,12)13/h3-6H,1-2H3,(H,10,11)

InChI Key

SJYUABJSWXGSAO-UHFFFAOYSA-N

Formula

C9H11NO3S

SMILES

CC(=O)Nc1ccc(S(C)(=O)=O)cc1

Molecular Weight¹

213.26

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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, Standard Gibbs free energy of formation, Acentric Factor 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	[204.82; 457.22]	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			1.44900e+01
Coefficient B			8.02230e-01
Coefficient C			-3.94260e-04
Coefficient D			3.47600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.82	J/mol×K	273.00	Calculated Property
Cp,gas	250.50	J/mol×K	353.78	Calculated Property
Cp,gas	291.50	J/mol×K	434.56	Calculated Property
Cp,gas	327.96	J/mol×K	515.33	Calculated Property
Cp,gas	359.97	J/mol×K	596.11	Calculated Property
Cp,gas	387.65	J/mol×K	676.89	Calculated Property
Cp,gas	411.10	J/mol×K	757.67	Calculated Property
Cp,gas	430.44	J/mol×K	838.44	Calculated Property
Cp,gas	445.78	J/mol×K	919.22	Calculated Property
Cp,gas	457.22	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetanilide, 4'-(methylsulfonyl)-.

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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