Chemical Properties of M-chlorocarbanilic acid, 2-cyanoethyl ester (CAS 5330-47-2)

InChI

InChI=1S/C10H9ClN2O2/c11-8-3-1-4-9(7-8)13-10(14)15-6-2-5-12/h1,3-4,7H,2,6H2,(H,13,14)

InChI Key

MPBQWHXSXRKKPK-UHFFFAOYSA-N

Formula

C10H9ClN2O2

SMILES

N#CCCOC(=O)Nc1cccc(Cl)c1

Molecular Weight¹

224.64

CAS

5330-47-2

• 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_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 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	[389.52; 436.59]	J/mol×K	[725.83; 955.38]
Cp,gas	389.52	J/mol×K	725.83	Joback Calculated Property
Cp,gas	399.20	J/mol×K	764.09	Joback Calculated Property
Cp,gas	408.13	J/mol×K	802.35	Joback Calculated Property
Cp,gas	416.31	J/mol×K	840.60	Joback Calculated Property
Cp,gas	423.77	J/mol×K	878.86	Joback Calculated Property
Cp,gas	430.52	J/mol×K	917.12	Joback Calculated Property
Cp,gas	436.59	J/mol×K	955.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to M-chlorocarbanilic acid, 2-cyanoethyl ester.

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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