Chemical Properties of 4-Chloro-n-(2-cyanoethyl)benzamide

InChI

InChI=1S/C10H9ClN2O/c11-9-4-2-8(3-5-9)10(14)13-7-1-6-12/h2-5H,1,7H2,(H,13,14)

InChI Key

CXBXWIVEMGBDTH-UHFFFAOYSA-N

Formula

C10H9ClN2O

SMILES

N#CCCNC(=O)c1ccc(Cl)cc1

Molecular Weight¹

208.65

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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, Ionization energy, Log10 of Water solubility in mol/l 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	[194.80; 424.33]	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			1.02320e+01
Coefficient B			8.05200e-01
Coefficient C			-5.03660e-04
Coefficient D			1.12560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.80	J/mol×K	273.00	Calculated Property
Cp,gas	237.04	J/mol×K	353.78	Calculated Property
Cp,gas	274.26	J/mol×K	434.56	Calculated Property
Cp,gas	306.83	J/mol×K	515.33	Calculated Property
Cp,gas	335.09	J/mol×K	596.11	Calculated Property
Cp,gas	359.41	J/mol×K	676.89	Calculated Property
Cp,gas	380.13	J/mol×K	757.67	Calculated Property
Cp,gas	397.62	J/mol×K	838.44	Calculated Property
Cp,gas	412.24	J/mol×K	919.22	Calculated Property
Cp,gas	424.33	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Chloro-n-(2-cyanoethyl)benzamide.

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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