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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[622.96; 684.33]	J/mol×K	[723.35; 928.87]
Cp,gas	622.96	J/mol×K	723.35	Joback Calculated Property
Cp,gas	636.08	J/mol×K	757.60	Joback Calculated Property
Cp,gas	648.00	J/mol×K	791.86	Joback Calculated Property
Cp,gas	658.75	J/mol×K	826.11	Joback Calculated Property
Cp,gas	668.37	J/mol×K	860.36	Joback Calculated Property
Cp,gas	676.89	J/mol×K	894.62	Joback Calculated Property
Cp,gas	684.33	J/mol×K	928.87	Joback Calculated Property
ΔfusH	31.79	kJ/mol	418.40	NIST

Similar Compounds

Find more compounds similar to Perfluidone.

Sources

• Crippen Method
• Joback Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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