Chemical Properties of 5-Amino-2-methoxyphenol, N-trifluoroacetyl-

InChI

InChI=1S/C9H8F3NO3/c1-16-7-3-2-5(4-6(7)14)13-8(15)9(10,11)12/h2-4,14H,1H3,(H,13,15)

InChI Key

PVJGTMBCIOHIFG-UHFFFAOYSA-N

Formula

C9H8F3NO3

SMILES

COc1ccc(NC(=O)C(F)(F)F)cc1O

Molecular Weight¹

235.16

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 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	[214.24; 451.59]	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			-8.37000e+00
Coefficient B			1.02122e+00
Coefficient C			-8.26220e-04
Coefficient D			2.64960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.24	J/mol×K	273.00	Calculated Property
Cp,gas	261.24	J/mol×K	353.78	Calculated Property
Cp,gas	301.13	J/mol×K	434.56	Calculated Property
Cp,gas	334.74	J/mol×K	515.33	Calculated Property
Cp,gas	362.92	J/mol×K	596.11	Calculated Property
Cp,gas	386.50	J/mol×K	676.89	Calculated Property
Cp,gas	406.32	J/mol×K	757.67	Calculated Property
Cp,gas	423.21	J/mol×K	838.44	Calculated Property
Cp,gas	438.03	J/mol×K	919.22	Calculated Property
Cp,gas	451.59	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 5-Amino-2-methoxyphenol, N-trifluoroacetyl-.

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

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