Chemical Properties of 2(2,2,2-trifluoroethyl)-amino--5-chloro-benzophenone (TCB)

InChI

InChI=1S/C15H11ClF3NO/c16-11-6-7-13(20-9-15(17,18)19)12(8-11)14(21)10-4-2-1-3-5-10/h1-8,20H,9H2

InChI Key

MKBQTVZIYPYTSC-UHFFFAOYSA-N

Formula

C15H11ClF3NO

SMILES

O=C(c1ccccc1)c1cc(Cl)ccc1NCC(F)(F)F

Molecular Weight¹

313.70

Other Names

• 2-(2,2,2-Trifluoroethylamino)-5-chlorobenzophenone

• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfG°	-352.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-574.74	kJ/mol	Joback Calculated Property
ΔfusH°	34.63	kJ/mol	Joback Calculated Property
ΔvapH°	68.68	kJ/mol	Joback Calculated Property
log10WS	-5.20		Crippen Calculated Property
logPoct/wat	4.545		Crippen Calculated Property
McVol	203.790	ml/mol	McGowan Calculated Property
Pc	2261.11	kPa	Joback Calculated Property
Inp	[1968.00; 2000.00]
Inp	1968.00		NIST
Inp	1975.00		NIST
Inp	2000.00		NIST
Inp	1968.00		NIST
Inp	2000.00		NIST
Tboil	741.97	K	Joback Calculated Property
Tc	967.16	K	Joback Calculated Property
Tfus	473.39	K	Joback Calculated Property
Vc	0.792	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[541.36; 600.55]	J/mol×K	[741.97; 967.16]
Cp,gas	541.36	J/mol×K	741.97	Joback Calculated Property
Cp,gas	553.52	J/mol×K	779.50	Joback Calculated Property
Cp,gas	564.65	J/mol×K	817.03	Joback Calculated Property
Cp,gas	574.83	J/mol×K	854.56	Joback Calculated Property
Cp,gas	584.15	J/mol×K	892.09	Joback Calculated Property
Cp,gas	592.69	J/mol×K	929.63	Joback Calculated Property
Cp,gas	600.55	J/mol×K	967.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2(2,2,2-trifluoroethyl)-amino--5-chloro-benzophenone (TCB).

Sources

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

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