Chemical Properties of N-Desmethyltapentadol, N-trimethylsilyl-, trimethylsilyl ether

InChI

InChI=1S/C19H37NOSi2/c1-10-19(16(2)15-20(3)22(4,5)6)17-12-11-13-18(14-17)21-23(7,8)9/h11-14,16,19H,10,15H2,1-9H3

InChI Key

UMNJBHFGTAZHEZ-UHFFFAOYSA-N

Formula

C19H37NOSi2

SMILES

CCC(c1cccc(O[Si](C)(C)C)c1)C(C)CN(C)[Si](C)(C)C

Molecular Weight¹

351.67

• 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	0.6255		Relay (1.0) Calculated Property
ΔfG°	155.58	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-477.55	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	74.03	kJ/mol	Relay (1.0) Calculated Property
IE	7.68	eV	Relay (1.0) Calculated Property
log10WS	-3.92		Relay (1.0) Calculated Property
logPoct/wat	5.797		Crippen Calculated Property
Pc	894.11	kPa	Relay (1.0-beta) Calculated Property
Inp	[1867.80; 1867.80]
Inp	1867.80		NIST
Inp	1867.80		NIST
Tboil	589.83	K	Relay (1.0) Calculated Property
Tc	779.70	K	Relay (1.0) Calculated Property
Tfus	313.85	K	Relay (1.0) Calculated Property
Vc	1.181	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N-Desmethyltapentadol, 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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