Chemical Properties of Methanesulfenyl chloride, trifluoro- (CAS 421-17-0)

InChI

InChI=1S/CClF3S/c2-6-1(3,4)5

InChI Key

RQYLOOVORNJDQX-UHFFFAOYSA-N

Formula

CClF3S

SMILES

FC(F)(F)SCl

Molecular Weight¹

136.53

CAS

421-17-0

Other Names

• Perfluoromethylsulfenyl chloride
• Trifluoromethanesulfenyl chloride
• Trifluoromethylsulfenyl chloride
• trifluoromethanesulphenyl chloride

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[90.87; 110.16]	J/mol×K	[323.27; 504.86]
Cp,gas	90.87	J/mol×K	323.27	Joback Calculated Property
Cp,gas	94.77	J/mol×K	353.53	Joback Calculated Property
Cp,gas	98.37	J/mol×K	383.80	Joback Calculated Property
Cp,gas	101.70	J/mol×K	414.06	Joback Calculated Property
Cp,gas	104.77	J/mol×K	444.33	Joback Calculated Property
Cp,gas	107.59	J/mol×K	474.59	Joback Calculated Property
Cp,gas	110.16	J/mol×K	504.86	Joback Calculated Property
ΔvapH	24.50	kJ/mol	259.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[200.37; 292.66]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.21012e+01
Coefficient B			-1.47340e+03
Coefficient C			-7.56500e+01
Temperature range, min.			200.37
Temperature range, max.			292.66
Pvap	1.33	kPa	200.37	Calculated Property
Pvap	3.27	kPa	210.62	Calculated Property
Pvap	7.07	kPa	220.88	Calculated Property
Pvap	13.80	kPa	231.13	Calculated Property
Pvap	24.81	kPa	241.39	Calculated Property
Pvap	41.65	kPa	251.64	Calculated Property
Pvap	66.03	kPa	261.90	Calculated Property
Pvap	99.78	kPa	272.15	Calculated Property
Pvap	144.73	kPa	282.41	Calculated Property
Pvap	202.68	kPa	292.66	Calculated Property

Similar Compounds

Find more compounds similar to Methanesulfenyl chloride, trifluoro-.

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
• The Yaws Handbook of Vapor Pressure

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