Chemical Properties of (1-Hydroxy-2,2,2-trichloroethyl)formamide (CAS 515-82-2)

InChI

InChI=1S/C3H4Cl3NO2/c4-3(5,6)2(9)7-1-8/h1-2,9H,(H,7,8)

InChI Key

ACZVWYLTJHGUCP-UHFFFAOYSA-N

Formula

C3H4Cl3NO2

SMILES

O=CNC(O)C(Cl)(Cl)Cl

Molecular Weight¹

192.43

CAS

515-82-2

Other Names

• Chloral formamide
• Chloralamide
• Chloramide
• Formamide, N-(2,2,2-trichloro-1-hydroxyethyl)-
• N-(1-Hydroxy-2,2,2-trichloroethyl)formamide
• N-(2,2,2-Trichloro-1-hydroxyethyl)formamide

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

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy 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	[141.16; 247.26]	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			2.81600e+01
Coefficient B			5.25600e-01
Coefficient C			-4.47600e-04
Coefficient D			1.41100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	141.16	J/mol×K	273.00	Calculated Property
Cp,gas	164.33	J/mol×K	353.78	Calculated Property
Cp,gas	183.62	J/mol×K	434.56	Calculated Property
Cp,gas	199.46	J/mol×K	515.33	Calculated Property
Cp,gas	212.31	J/mol×K	596.11	Calculated Property
Cp,gas	222.61	J/mol×K	676.89	Calculated Property
Cp,gas	230.81	J/mol×K	757.67	Calculated Property
Cp,gas	237.36	J/mol×K	838.44	Calculated Property
Cp,gas	242.69	J/mol×K	919.22	Calculated Property
Cp,gas	247.26	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (1-Hydroxy-2,2,2-trichloroethyl)formamide.

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.
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