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

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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 34.63 kJ/mol Joback Calculated Property
IE 8.18 eV Relay (1.0) Calculated Property
logPoct/wat 4.545 Crippen Calculated Property
McVol 203.790 ml/mol McGowan Calculated Property
Inp [1968.00; 2000.00]   Show Hide
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

Cheméo can also estimate Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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 [267.93; 606.92] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.71190e+01
Coefficient B1.36820e+00
Coefficient C-9.91820e-04
Coefficient D2.67660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 267.93 J/mol×K 273.00 Calculated Property
Cp,gas 334.64 J/mol×K 353.78 Calculated Property
Cp,gas 392.11 J/mol×K 434.56 Calculated Property
Cp,gas 441.19 J/mol×K 515.33 Calculated Property
Cp,gas 482.74 J/mol×K 596.11 Calculated Property
Cp,gas 517.58 J/mol×K 676.89 Calculated Property
Cp,gas 546.57 J/mol×K 757.67 Calculated Property
Cp,gas 570.57 J/mol×K 838.44 Calculated Property
Cp,gas 590.40 J/mol×K 919.22 Calculated Property
Cp,gas 606.92 J/mol×K 1000.00 Calculated Property

Similar Compounds

Quazepam + M (oxo-), hydrolysis. 2-(2-propynylamino)-5-chloro-benzophenone. Methanone, [5-chloro-2-(methylamino)phenyl]phenyl-. Methanone, [5-chloro-2-[(cyclopropylmethyl)amino]phenyl]phenyl-. 4-Chloroacetamidobenzophenone. 5-Chloro-2'-fluoro-2-hydroxyethyaminobenzophenone. Methanone, [5-chloro-2-(methylamino)phenyl](2-chlorophenyl)-. Benzophenone, 5-chloro-2-fluoro-2'-(2-hydroxyethyl)amino. 2-Methylamino-5-chloro-2'-fluorobenzophenone. Benzophenone, 2-acetamino-2',5-dichloro-. Clorazepate M (hydroxy-), isomer 2, hydrolysis, acetylated. 5-Chloro-2'-fluoro-2-diethyaminoethylaminobenzophenone. 2-amino-5-chloro-2'-fluorobenzophenone, acetylated. Clorazepate M (hydroxy-), isomer 1, hydrolysis, acetylated. Halazepam M (hydroxy-), isomer 1, hydrolysis, acetylated.

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

Sources

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.