Chemical Properties of 3-Amino-4-(methylthio)benzotrifluoride (CAS 207974-07-0)

InChI

InChI=1S/C8H8F3NS/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,12H2,1H3

InChI Key

OQFOLJGOVFYDHZ-UHFFFAOYSA-N

Formula

C8H8F3NS

SMILES

CSc1ccc(C(F)(F)F)cc1N

Molecular Weight¹

207.22

CAS

207974-07-0

• 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	[303.42; 359.73]	J/mol×K	[554.97; 780.14]
Cp,gas	303.42	J/mol×K	554.97	Joback Calculated Property
Cp,gas	314.77	J/mol×K	592.50	Joback Calculated Property
Cp,gas	325.27	J/mol×K	630.03	Joback Calculated Property
Cp,gas	334.98	J/mol×K	667.55	Joback Calculated Property
Cp,gas	343.93	J/mol×K	705.08	Joback Calculated Property
Cp,gas	352.16	J/mol×K	742.61	Joback Calculated Property
Cp,gas	359.73	J/mol×K	780.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Amino-4-(methylthio)benzotrifluoride.

Sources

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

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