Chemical Properties of 3,5-Bis(trifluoromethyl)benzenesulfonyl chloride (CAS 39234-86-1)

InChI

InChI=1S/C8H3ClF6O2S/c9-18(16,17)6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H

InChI Key

BTRCVKADYDVSLI-UHFFFAOYSA-N

Formula

C8H3ClF6O2S

SMILES

O=S(=O)(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

Molecular Weight¹

312.62

CAS

39234-86-1

Other Names

• 3,5-Di(trifluoromethyl)benzene sulfonyl chloride
• Benzenesulfonyl chloride, 3,5-bis(trifluoromethyl)-
• 3,5-bis(trifluoromethyl)benzenesulphonyl chloride

• ω : Acentric Factor.
• 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).
• 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).
• 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	[332.54; 384.73]	J/mol×K	[493.45; 670.31]
Cp,gas	332.54	J/mol×K	493.45	Joback Calculated Property
Cp,gas	342.96	J/mol×K	522.93	Joback Calculated Property
Cp,gas	352.65	J/mol×K	552.40	Joback Calculated Property
Cp,gas	361.65	J/mol×K	581.88	Joback Calculated Property
Cp,gas	369.98	J/mol×K	611.36	Joback Calculated Property
Cp,gas	377.66	J/mol×K	640.83	Joback Calculated Property
Cp,gas	384.73	J/mol×K	670.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Bis(trifluoromethyl)benzenesulfonyl chloride.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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