Chemical Properties of Acetamide, 2,2,2-trichloro- (CAS 594-65-0)

InChI

InChI=1S/C2H2Cl3NO/c3-2(4,5)1(6)7/h(H2,6,7)

InChI Key

UPQQXPKAYZYUKO-UHFFFAOYSA-N

Formula

C2H2Cl3NO

SMILES

NC(=O)C(Cl)(Cl)Cl

Molecular Weight¹

162.40

CAS

594-65-0

Other Names

• 2,2,2-Chloroacetamide
• 2,2,2-Trichloroacetamide
• Acetamide, «alpha»-trichloro-
• Amid kyseliny trichloroctove
• Trichloroacetamide
• «alpha»,«alpha»,«alpha»-Trichloroacetamide

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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 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	[107.96; 173.78]	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			2.91200e+01
Coefficient B			3.73900e-01
Coefficient C			-3.42700e-04
Coefficient D			1.13460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	107.96	J/mol×K	273.00	Calculated Property
Cp,gas	123.53	J/mol×K	353.78	Calculated Property
Cp,gas	136.20	J/mol×K	434.56	Calculated Property
Cp,gas	146.32	J/mol×K	515.33	Calculated Property
Cp,gas	154.26	J/mol×K	596.11	Calculated Property
Cp,gas	160.38	J/mol×K	676.89	Calculated Property
Cp,gas	165.03	J/mol×K	757.67	Calculated Property
Cp,gas	168.58	J/mol×K	838.44	Calculated Property
Cp,gas	171.37	J/mol×K	919.22	Calculated Property
Cp,gas	173.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, 2,2,2-trichloro-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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