Chemical Properties of Phenothiazine-1-carboxylic acid, 8-trifluoromethyl-

InChI

InChI=1S/C14H8F3NO2S/c15-14(16,17)7-4-5-10-9(6-7)18-12-8(13(19)20)2-1-3-11(12)21-10/h1-6,18H,(H,19,20)

InChI Key

WXIGSVFQTLVMQM-UHFFFAOYSA-N

Formula

C14H8F3NO2S

SMILES

O=C(O)c1cccc2c1Nc1cc(C(F)(F)F)ccc1S2

Molecular Weight¹

311.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[255.76; 554.70]	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			-3.43700e+01
Coefficient B			1.33801e+00
Coefficient C			-1.10574e-03
Coefficient D			3.56800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.76	J/mol×K	273.00	Calculated Property
Cp,gas	316.39	J/mol×K	353.78	Calculated Property
Cp,gas	367.54	J/mol×K	434.56	Calculated Property
Cp,gas	410.33	J/mol×K	515.33	Calculated Property
Cp,gas	445.89	J/mol×K	596.11	Calculated Property
Cp,gas	475.34	J/mol×K	676.89	Calculated Property
Cp,gas	499.82	J/mol×K	757.67	Calculated Property
Cp,gas	520.46	J/mol×K	838.44	Calculated Property
Cp,gas	538.37	J/mol×K	919.22	Calculated Property
Cp,gas	554.70	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenothiazine-1-carboxylic acid, 8-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
• 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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