Chemical Properties of Benzyl 2,2,2-trichloroacetimidate (CAS 81927-55-1)

InChI

InChI=1S/C9H8Cl3NO/c10-9(11,12)8(13)14-6-7-4-2-1-3-5-7/h1-5,13H,6H2

InChI Key

HUZCTWYDQIQZPM-UHFFFAOYSA-N

Formula

C9H8Cl3NO

SMILES

N=C(OCc1ccccc1)C(Cl)(Cl)Cl

Molecular Weight¹

252.53

CAS

81927-55-1

Other Names

• Benzyl trichloroacetimidate
• Ethanimidic acid, 2,2,2-trichloro-, phenylmethyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[69.07; 354.26]	J/mol×K	[100.12; 648.02]
Cp,gas	69.07	J/mol×K	100.12	Joback Calculated Property
Cp,gas	69.07	J/mol×K	100.12	Joback Calculated Property
Cp,gas	69.07	J/mol×K	100.12	Joback Calculated Property
Cp,gas	69.07	J/mol×K	100.12	Joback Calculated Property
Cp,gas	69.07	J/mol×K	100.12	Joback Calculated Property
Cp,gas	69.07	J/mol×K	100.12	Joback Calculated Property
Cp,gas	354.26	J/mol×K	648.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzyl 2,2,2-trichloroacetimidate.

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

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