Chemical Properties of 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto- (CAS 64249-76-9)

InChI

InChI=1S/C6H6F4OS/c1-3(12)2-4(11)6(9,10)5(7)8/h2,5,12H,1H3/b3-2-

InChI Key

JOMAVZMNUWTMSS-IHWYPQMZSA-N

Formula

C6H6F4OS

SMILES

CC(S)=CC(=O)C(F)(F)C(F)F

Molecular Weight¹

202.17

CAS

64249-76-9

• 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_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	[241.68; 291.14]	J/mol×K	[450.86; 640.02]
Cp,gas	241.68	J/mol×K	450.86	Joback Calculated Property
Cp,gas	251.51	J/mol×K	482.39	Joback Calculated Property
Cp,gas	260.65	J/mol×K	513.91	Joback Calculated Property
Cp,gas	269.15	J/mol×K	545.44	Joback Calculated Property
Cp,gas	277.04	J/mol×K	576.97	Joback Calculated Property
Cp,gas	284.36	J/mol×K	608.49	Joback Calculated Property
Cp,gas	291.14	J/mol×K	640.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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