Chemical Properties of Perfluidone (CAS 37924-13-3)

InChI

InChI=1S/C14H12F3NO4S2/c1-10-9-12(23(19,20)11-5-3-2-4-6-11)7-8-13(10)18-24(21,22)14(15,16)17/h2-9,18H,1H3

InChI Key

WHTBVLXUSXVMEV-UHFFFAOYSA-N

Formula

C14H12F3NO4S2

SMILES

Cc1cc(S(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)C(F)(F)F

Molecular Weight¹

379.38

CAS

37924-13-3

Other Names

• 1,1,1-Trifluoro-4'-(phenylsulfonyl)methanesulfono-o-toluidide
• 1,1,1-Trifluoro-N-(2-methyl-4-(phenylsulfonyl)phenyl)methanesulfonamide
• 1,1,1-Trifluoro-N-[2-methyl-4-(phenylsulphonyl)phenyl]methanesulfonamide
• 1,1,1-trifluoro-N-(4-phenylsulphonyl-o-tolyl)methanesulphonamide
• 2-Methyl-4-(phenylsulfonyl)trifluoromethanesulfonanilide
• Destun
• MBR 8251
• Methanesulfonamide, 1,1,1-trifluoro-N-[2-methyl-4-(phenylsulfonyl)phenyl]-
• Methanesulfonamide, N-(4-phenylsulfonyl-o-tolyl)-1,1,1-trifluoro-
• SB 1528

• 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_fusH : Enthalpy of fusion at a given temperature (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_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 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.41; 696.50]	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			1.00200e+01
Coefficient B			1.36160e+00
Coefficient C			-8.04520e-04
Coefficient D			1.29400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	324.41	J/mol×K	273.00	Calculated Property
Cp,gas	396.76	J/mol×K	353.78	Calculated Property
Cp,gas	460.41	J/mol×K	434.56	Calculated Property
Cp,gas	515.75	J/mol×K	515.33	Calculated Property
Cp,gas	563.21	J/mol×K	596.11	Calculated Property
Cp,gas	603.19	J/mol×K	676.89	Calculated Property
Cp,gas	636.10	J/mol×K	757.67	Calculated Property
Cp,gas	662.35	J/mol×K	838.44	Calculated Property
Cp,gas	682.35	J/mol×K	919.22	Calculated Property
Cp,gas	696.50	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Perfluidone.

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
• Joback Method
• Estimated Solubility 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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