Chemical Properties of 9H-Thioxanthen-9-one, 2-(trifluoromethyl)- (CAS 1693-28-3)

InChI

InChI=1S/C14H7F3OS/c15-14(16,17)8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)19-12/h1-7H

InChI Key

NEWRXGDGZGIHIS-UHFFFAOYSA-N

Formula

C14H7F3OS

SMILES

O=c1c2ccccc2sc2ccc(C(F)(F)F)cc12

Molecular Weight¹

280.26

CAS

1693-28-3

Other Names

• 2-(Trifluoromethyl)thioxanthen-9-one
• 2-(trifluoromethyl)-9H-thioxanthen-9-one

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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

Similar Compounds

Find more compounds similar to 9H-Thioxanthen-9-one, 2-(trifluoromethyl)-.

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
• McGowan Method
• NIST Webbook

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