Chemical Properties of Acetamide, n-(1,1-bis(p-chlorophenyl)-2,2,2-trifluoroethyl)- (CAS 2247-71-4)

InChI

InChI=1S/C16H12Cl2F3NO/c1-10(23)22-15(16(19,20)21,11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9H,1H3,(H,22,23)

InChI Key

NPRLBMKFRSLGSQ-UHFFFAOYSA-N

Formula

C16H12Cl2F3NO

SMILES

CC(=O)NC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(F)(F)F

Molecular Weight¹

362.17

CAS

2247-71-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 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	[301.08; 668.25]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.96100e+01
Coefficient B			1.59582e+00
Coefficient C			-1.23842e-03
Coefficient D			3.60460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	301.08	J/mol×K	273.00	Calculated Property
Cp,gas	375.92	J/mol×K	353.78	Calculated Property
Cp,gas	439.58	J/mol×K	434.56	Calculated Property
Cp,gas	493.22	J/mol×K	515.33	Calculated Property
Cp,gas	537.96	J/mol×K	596.11	Calculated Property
Cp,gas	574.96	J/mol×K	676.89	Calculated Property
Cp,gas	605.34	J/mol×K	757.67	Calculated Property
Cp,gas	630.26	J/mol×K	838.44	Calculated Property
Cp,gas	650.85	J/mol×K	919.22	Calculated Property
Cp,gas	668.25	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, n-(1,1-bis(p-chlorophenyl)-2,2,2-trifluoroethyl)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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