Chemical Properties of N-Desmethyl-cis-tramadol, N-trimethylsilyl-, trimethylsilyl ether

InChI

InChI=1S/C21H39NO2Si2/c1-22(25(3,4)5)17-19-12-9-10-15-21(19,24-26(6,7)8)18-13-11-14-20(16-18)23-2/h11,13-14,16,19H,9-10,12,15,17H2,1-8H3

InChI Key

WXEBJZUYUZCZOB-UHFFFAOYSA-N

Formula

C21H39NO2Si2

SMILES

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

Molecular Weight¹

393.71

• 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	0.6545		Relay (... Calculated Property
ΔfG°	95.86	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-556.78	kJ/mol	Relay (... Calculated Property
ΔvapH°	87.70	kJ/mol	Relay (... Calculated Property
IE	7.41	eV	Relay (... Calculated Property
log10WS	-3.55		Relay (... Calculated Property
logPoct/wat	5.699		Crippen Calculated Property
Pc	707.22	kPa	Relay (... Calculated Property ⚠️
Inp	[2140.10; 2140.10]
Inp	2140.10		NIST
Inp	2140.10		NIST
Tboil	639.53	K	Relay (... Calculated Property
Tc	848.06	K	Relay (... Calculated Property
Tfus	312.03	K	Relay (... Calculated Property
Vc	1.257	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to N-Desmethyl-cis-tramadol, N-trimethylsilyl-, 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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