Chemical Properties of 2-(Trifluoromethyl)thiophenol, S-acetyl-

InChI

InChI=1S/C9H7F3OS/c1-6(13)14-8-5-3-2-4-7(8)9(10,11)12/h2-5H,1H3

InChI Key

ASPOUDUPCPIORC-UHFFFAOYSA-N

Formula

C9H7F3OS

SMILES

CC(=O)Sc1ccccc1C(F)(F)F

Molecular Weight¹

220.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• 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, Ionization energy 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	[309.27; 366.37]	J/mol×K	[554.21; 773.76]
Cp,gas	309.27	J/mol×K	554.21	Joback Calculated Property
Cp,gas	320.84	J/mol×K	590.80	Joback Calculated Property
Cp,gas	331.54	J/mol×K	627.39	Joback Calculated Property
Cp,gas	341.39	J/mol×K	663.99	Joback Calculated Property
Cp,gas	350.45	J/mol×K	700.58	Joback Calculated Property
Cp,gas	358.76	J/mol×K	737.17	Joback Calculated Property
Cp,gas	366.37	J/mol×K	773.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(Trifluoromethyl)thiophenol, S-acetyl-.

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.