Chemical Properties of 2-(p-Chlorophenyl)-3-methylbutyronitrile

InChI

InChI=1S/C11H12ClN/c1-8(2)11(7-13)9-3-5-10(12)6-4-9/h3-6,8,11H,1-2H3

InChI Key

RBGSZIRWNWQDOK-UHFFFAOYSA-N

Formula

C11H12ClN

SMILES

CC(C)C(C#N)c1ccc(Cl)cc1

Molecular Weight¹

193.68

Other Names

• Benzeneacetonitrile, 4-chloro-«alpha»-(1-methylethyl)-
• 2-(4-chlorophenyl)-3-methylbutyronitrile

• 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_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.28; 451.09]	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			-1.90000e-01
Coefficient B			8.63840e-01
Coefficient C			-5.34560e-04
Coefficient D			1.22000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.28	J/mol×K	273.00	Calculated Property
Cp,gas	243.91	J/mol×K	353.78	Calculated Property
Cp,gas	284.26	J/mol×K	434.56	Calculated Property
Cp,gas	319.71	J/mol×K	515.33	Calculated Property
Cp,gas	350.64	J/mol×K	596.11	Calculated Property
Cp,gas	377.45	J/mol×K	676.89	Calculated Property
Cp,gas	400.51	J/mol×K	757.67	Calculated Property
Cp,gas	420.21	J/mol×K	838.44	Calculated Property
Cp,gas	436.94	J/mol×K	919.22	Calculated Property
Cp,gas	451.09	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-(p-Chlorophenyl)-3-methylbutyronitrile.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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