Chemical Properties of .alpha.-Cyclohexylphenylacetonitrile

InChI

InChI=1S/C14H17N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-10H2

InChI Key

IZSWBXTYTALSOZ-UHFFFAOYSA-N

Formula

C14H17N

SMILES

N#CC(c1ccccc1)C1CCCCC1

Molecular Weight¹

199.30

Other Names

• «alpha»-Cyclohexylphenylacetonitrile
• Benzeneacetonitrile, «alpha»-cyclohexyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.87; 564.78]	J/mol×K	[667.59; 917.77]
Cp,gas	473.87	J/mol×K	667.59	Joback Calculated Property
Cp,gas	492.51	J/mol×K	709.29	Joback Calculated Property
Cp,gas	509.64	J/mol×K	750.98	Joback Calculated Property
Cp,gas	525.36	J/mol×K	792.68	Joback Calculated Property
Cp,gas	539.73	J/mol×K	834.38	Joback Calculated Property
Cp,gas	552.85	J/mol×K	876.07	Joback Calculated Property
Cp,gas	564.78	J/mol×K	917.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to .alpha.-Cyclohexylphenylacetonitrile.

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.