Chemical Properties of 3,5-Bis(trifluoromethyl)benzenesulfonyl chloride

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

Other Names

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.73; 430.31]	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			2.40400e+01
Coefficient B			9.28690e-01
Coefficient C			-7.05320e-04
Coefficient D			1.82900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.73	J/mol×K	273.00	Calculated Property
Cp,gas	272.41	J/mol×K	353.78	Calculated Property
Cp,gas	309.42	J/mol×K	434.56	Calculated Property
Cp,gas	340.35	J/mol×K	515.33	Calculated Property
Cp,gas	365.75	J/mol×K	596.11	Calculated Property
Cp,gas	386.22	J/mol×K	676.89	Calculated Property
Cp,gas	402.33	J/mol×K	757.67	Calculated Property
Cp,gas	414.67	J/mol×K	838.44	Calculated Property
Cp,gas	423.80	J/mol×K	919.22	Calculated Property
Cp,gas	430.31	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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

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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