Chemical Properties of Phencyclidine (CAS 77-10-1)

InChI

InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2

InChI Key

JTJMJGYZQZDUJJ-UHFFFAOYSA-N

Formula

C17H25N

SMILES

c1ccc(C2(N3CCCCC3)CCCCC2)cc1

Molecular Weight¹

243.39

CAS

77-10-1

Other Names

• 1-(1-Phenylcyclohexyl)piperidine
• Angel dust
• CI-395
• Cl-395
• Elysion
• HOG
• PCP
• PCP (anesthetic)
• Phencylidine
• Piperidine, 1-(1-phenylcyclohexyl)-
• Sernyl
• Sernylan

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfH°gas	28.21	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	77.62	kJ/mol	Relay (1.0) Calculated Property
IE	7.43	eV	Relay (1.0) Calculated Property
logPoct/wat	4.332		Crippen Calculated Property
McVol	214.890	ml/mol	McGowan Calculated Property
Inp	[1859.00; 1918.00]
Inp	1880.00		NIST
Inp	1918.00		NIST
Inp	1860.00		NIST
Inp	1890.00		NIST
Inp	1879.00		NIST
Inp	1859.00		NIST
Inp	1860.00		NIST
Inp	1890.00		NIST
Inp	1890.00		NIST
Inp	1879.00		NIST
Inp	1870.00		NIST
Inp	1860.00		NIST
Inp	1904.00		NIST
Inp	1859.00		NIST
Inp	1918.00		NIST
Inp	1879.00		NIST
Tboil	611.18	K	Relay (1.0) Calculated Property
Tfus	356.77	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Phencyclidine.

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
• The Vaporization Enthalpy and vapor Pressure of Fenpropidin and Phencyclidine (PCP) at T/K = 298.15 by Correlation Gas Chromatography
• 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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