Chemical Properties of 1-(1-phenylcyclohexyl)-3-hydroxypiperidine

InChI

InChI=1S/C17H25NO/c19-16-10-7-13-18(14-16)17(11-5-2-6-12-17)15-8-3-1-4-9-15/h1,3-4,8-9,16,19H,2,5-7,10-14H2

InChI Key

REOJDWNPCWABRJ-UHFFFAOYSA-N

Formula

C17H25NO

SMILES

OC1CCCN(C2(c3ccccc3)CCCCC2)C1

Molecular Weight¹

259.39

• 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).
• 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	0.5948		Relay (1.0) Calculated Property
ΔfG°	196.54	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-160.11	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	108.84	kJ/mol	Relay (1.0) Calculated Property
IE	7.69	eV	Relay (1.0) Calculated Property
log10WS	-2.36		Relay (1.0) Calculated Property
logPoct/wat	3.303		Crippen Calculated Property
McVol	220.760	ml/mol	McGowan Calculated Property
Pc	1895.24	kPa	Relay (1.0-beta) Calculated Property
Inp	[2393.00; 2393.00]
Inp	2393.00		NIST
Inp	2393.00		NIST
Tboil	649.62	K	Relay (1.0) Calculated Property
Tc	877.35	K	Relay (1.0) Calculated Property
Tfus	405.32	K	Relay (1.0) Calculated Property
Vc	0.779	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-(1-phenylcyclohexyl)-3-hydroxypiperidine.

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
• McGowan Method
• NIST Webbook

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