Chemical Properties of Ecgonine ethyl ester, trimethylsilyl ether

InChI

InChI=1S/C14H27NO3Si/c1-6-17-14(16)13-11-8-7-10(15(11)2)9-12(13)18-19(3,4)5/h10-13H,6-9H2,1-5H3

InChI Key

JLRNZGZBRDVKSX-UHFFFAOYSA-N

Formula

C14H27NO3Si

SMILES

CCOC(=O)C1C(O[Si](C)(C)C)CC2CCC1N2C

Molecular Weight¹

285.45

• 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	0.5349		Relay (... Calculated Property
ΔfG°	-200.45	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-724.35	kJ/mol	Relay (... Calculated Property
ΔvapH°	80.12	kJ/mol	Relay (... Calculated Property
IE	8.33	eV	Relay (... Calculated Property
log10WS	-1.30		Relay (... Calculated Property
logPoct/wat	2.252		Crippen Calculated Property
Pc	1308.04	kPa	Relay (... Calculated Property ⚠️
Inp	[1631.30; 1631.30]
Inp	1631.30		NIST
Inp	1631.30		NIST
Tboil	552.99	K	Relay (... Calculated Property
Tc	781.57	K	Relay (... Calculated Property
Tfus	343.11	K	Relay (... Calculated Property
Vc	0.870	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Ecgonine ethyl ester, 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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