Chemical Properties of 4-phenyl-4-piperidinocyclohexanol (TMS)

InChI

InChI=1S/C20H33NOSi/c1-23(2,3)22-19-12-14-20(15-13-19,18-10-6-4-7-11-18)21-16-8-5-9-17-21/h4,6-7,10-11,19H,5,8-9,12-17H2,1-3H3

InChI Key

GLJNUJZJDUXBDT-UHFFFAOYSA-N

Formula

C20H33NOSi

SMILES

C[Si](C)(C)OC1CCC(c2ccccc2)(N2CCCCC2)CC1

Molecular Weight¹

331.57

• 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.
• 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	0.5215		Relay (1.0) Calculated Property
ΔfG°	222.34	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-295.42	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	86.65	kJ/mol	Relay (1.0) Calculated Property
IE	7.64	eV	Relay (1.0) Calculated Property
log10WS	-3.22		Relay (1.0) Calculated Property
logPoct/wat	5.162		Crippen Calculated Property
Pc	994.59	kPa	Relay (1.0-beta) Calculated Property
Inp	[2372.00; 2372.00]
Inp	2372.00		NIST
Inp	2372.00		NIST
Tboil	647.37	K	Relay (1.0) Calculated Property
Tc	861.33	K	Relay (1.0) Calculated Property
Tfus	365.00	K	Relay (1.0) Calculated Property
Vc	1.051	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 4-phenyl-4-piperidinocyclohexanol (TMS).

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
• NIST Webbook

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