Chemical Properties of 4-Acetyl-4-phenylpiperidine (CAS 34798-80-6)

InChI

InChI=1S/C13H17NO/c1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3

InChI Key

RKHWHRHOEKYEJW-UHFFFAOYSA-N

Formula

C13H17NO

SMILES

CC(=O)C1(c2ccccc2)CCNCC1

Molecular Weight¹

203.28

CAS

34798-80-6

Other Names

• Ethanone, 1-(4-phenyl-4-piperidinyl)-
• methyl (4-phenyl-4-piperidyl) ketone

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[199.99; 584.13]	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			-1.34150e+02
Coefficient B			1.53252e+00
Coefficient C			-1.24890e-03
Coefficient D			4.34660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	199.99	J/mol×K	273.00	Calculated Property
Cp,gas	270.96	J/mol×K	353.78	Calculated Property
Cp,gas	331.64	J/mol×K	434.56	Calculated Property
Cp,gas	383.43	J/mol×K	515.33	Calculated Property
Cp,gas	427.68	J/mol×K	596.11	Calculated Property
Cp,gas	465.78	J/mol×K	676.89	Calculated Property
Cp,gas	499.10	J/mol×K	757.67	Calculated Property
Cp,gas	529.02	J/mol×K	838.44	Calculated Property
Cp,gas	556.90	J/mol×K	919.22	Calculated Property
Cp,gas	584.13	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Acetyl-4-phenylpiperidine.

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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