Chemical Properties of Fenpropidin (CAS 67306-00-7)

InChI

InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3

InChI Key

MGNFYQILYYYUBS-UHFFFAOYSA-N

Formula

C19H31N

SMILES

CC(Cc1ccc(C(C)(C)C)cc1)CN1CCCCC1

Molecular Weight¹

273.46

CAS

67306-00-7

Other Names

• 1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)piperidine
• 1-(3-(4-(tert-butyl)phenyl)-2-methylpropyl)piperidine
• Fenpropidine
• Patrol
• Piperidine, 1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-
• Ro-12-3049

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5751		Relay (1.0) Calculated Property
ΔfG°	270.03	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-137.59	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	85.25	kJ/mol	Relay (1.0) Calculated Property
IE	7.47	eV	Relay (1.0) Calculated Property
log10WS	-4.39		Relay (1.0) Calculated Property
logPoct/wat	4.649		Crippen Calculated Property
McVol	253.930	ml/mol	McGowan Calculated Property
Pc	1352.60	kPa	Relay (1.0-beta) Calculated Property
Inp	[1928.00; 1936.00]
Inp	1928.00		NIST
Inp	1936.00		NIST
Tboil	620.97	K	Relay (1.0) Calculated Property
Tc	821.09	K	Relay (1.0) Calculated Property
Tfus	292.95	K	Relay (1.0) Calculated Property
Vc	0.931	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Fenpropidin.

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.