Chemical Properties of 3-Amino-2-fluorobenzotrifluoride (CAS 123973-25-1)

InChI

InChI=1S/C7H5F4N/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3H,12H2

InChI Key

YKPDYPPZLUZONK-UHFFFAOYSA-N

Formula

C7H5F4N

SMILES

Nc1cccc(C(F)(F)F)c1F

Molecular Weight¹

179.11

CAS

123973-25-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.78; 274.32]	J/mol×K	[462.58; 659.44]
Cp,gas	224.78	J/mol×K	462.58	Joback Calculated Property
Cp,gas	234.58	J/mol×K	495.39	Joback Calculated Property
Cp,gas	243.72	J/mol×K	528.20	Joback Calculated Property
Cp,gas	252.24	J/mol×K	561.01	Joback Calculated Property
Cp,gas	260.15	J/mol×K	593.82	Joback Calculated Property
Cp,gas	267.50	J/mol×K	626.63	Joback Calculated Property
Cp,gas	274.32	J/mol×K	659.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Amino-2-fluorobenzotrifluoride.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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