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

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.6394		Relay (1.0) Calculated Property
ΔfG°	-352.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-669.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.63	kJ/mol	Joback Calculated Property
ΔvapH°	93.83	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
log10WS	-4.80		Relay (1.0) 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	627.46	K	Relay (1.0) Calculated Property
Tc	871.30	K	Relay (1.0) Calculated Property
Tfus	354.41	K	Relay (1.0) Calculated Property
Vc	0.703	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• 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.