Chemical Properties of trans-3'-Hydroxycotinine, trimethylsilyl ether

InChI

InChI=1S/C13H20N2O2Si/c1-15-11(10-6-5-7-14-9-10)8-12(13(15)16)17-18(2,3)4/h5-7,9,11-12H,8H2,1-4H3

InChI Key

HYTDUAPLYVHNHI-UHFFFAOYSA-N

Formula

C13H20N2O2Si

SMILES

CN1C(=O)C(O[Si](C)(C)C)CC1c1cccnc1

Molecular Weight¹

264.40

• 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	0.5200		Relay (... Calculated Property
ΔfG°	73.45	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-315.98	kJ/mol	Relay (... Calculated Property
ΔvapH°	84.92	kJ/mol	Relay (... Calculated Property
IE	8.90	eV	Relay (... Calculated Property
log10WS	-0.24		Relay (... Calculated Property
logPoct/wat	2.205		Crippen Calculated Property
Pc	1697.22	kPa	Relay (... Calculated Property ⚠️
Inp	[1888.60; 1888.60]
Inp	1888.60		NIST
Inp	1888.60		NIST
Tboil	588.32	K	Relay (... Calculated Property
Tc	838.17	K	Relay (... Calculated Property
Tfus	316.72	K	Relay (... Calculated Property
Vc	0.782	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to trans-3'-Hydroxycotinine, 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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