Chemical Properties of cis-Tramadol, trimethylsilyl ether

InChI

InChI=1S/C19H33NO2Si/c1-20(2)15-17-10-7-8-13-19(17,22-23(4,5)6)16-11-9-12-18(14-16)21-3/h9,11-12,14,17H,7-8,10,13,15H2,1-6H3

InChI Key

KGLNMONDCPSZIK-UHFFFAOYSA-N

Formula

C19H33NO2Si

SMILES

COc1cccc(C2(O[Si](C)(C)C)CCCCC2CN(C)C)c1

Molecular Weight¹

335.56

• 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	0.6269		Relay (... Calculated Property
ΔfG°	78.33	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-423.01	kJ/mol	Relay (... Calculated Property
ΔvapH°	87.42	kJ/mol	Relay (... Calculated Property
IE	7.45	eV	Relay (... Calculated Property
log10WS	-3.26		Relay (... Calculated Property
logPoct/wat	4.494		Crippen Calculated Property
Pc	994.68	kPa	Relay (... Calculated Property ⚠️
Inp	[1975.80; 1975.80]
Inp	1975.80		NIST
Inp	1975.80		NIST
Tboil	625.86	K	Relay (... Calculated Property
Tc	826.21	K	Relay (... Calculated Property
Tfus	326.33	K	Relay (... Calculated Property
Vc	1.046	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to cis-Tramadol, trimethylsilyl ether.

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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