Chemical Properties of N-Phenylcyclohexylamine (CAS 1821-36-9)

InChI

InChI=1S/C12H17N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2

InChI Key

TXTHKGMZDDTZFD-UHFFFAOYSA-N

Formula

C12H17N

SMILES

c1ccc(NC2CCCCC2)cc1

Molecular Weight¹

175.27

CAS

1821-36-9

Other Names

• Aniline, N-cyclohexyl-
• Cyclohexanamine, N-phenyl-
• Cyclohexylamine, N-phenyl-
• Cyclohexylphenylamine
• Diphenylamine, ar-hexahydro-
• N-Cyclohexylaniline
• N-Cyclohexylbenzenamine
• NSC 27510
• Phenylcyclohexylamine
• Benzenamine, N-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).
• IE : Ionization energy (eV).
• 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).
• 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 vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[180.86; 541.86]	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			-1.08740e+02
Coefficient B			1.26320e+00
Coefficient C			-7.89800e-04
Coefficient D			1.77200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.86	J/mol×K	273.00	Calculated Property
Cp,gas	247.15	J/mol×K	353.78	Calculated Property
Cp,gas	305.59	J/mol×K	434.56	Calculated Property
Cp,gas	356.73	J/mol×K	515.33	Calculated Property
Cp,gas	401.15	J/mol×K	596.11	Calculated Property
Cp,gas	439.39	J/mol×K	676.89	Calculated Property
Cp,gas	472.03	J/mol×K	757.67	Calculated Property
Cp,gas	499.61	J/mol×K	838.44	Calculated Property
Cp,gas	522.70	J/mol×K	919.22	Calculated Property
Cp,gas	541.86	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-Phenylcyclohexylamine.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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