Chemical Properties of Benzoylnorecgonine, trimethylsilyl ester

InChI

InChI=1S/C18H25NO4Si/c1-24(2,3)23-18(21)16-14-10-9-13(19-14)11-15(16)22-17(20)12-7-5-4-6-8-12/h4-8,13-16,19H,9-11H2,1-3H3

InChI Key

CYPNFGDKIRAYBX-UHFFFAOYSA-N

Formula

C18H25NO4Si

SMILES

C[Si](C)(C)OC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2

Molecular Weight¹

347.48

• 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	0.6877		Relay (... Calculated Property
ΔfG°	-225.15	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-786.76	kJ/mol	Relay (... Calculated Property
ΔvapH°	106.33	kJ/mol	Relay (... Calculated Property
IE	8.61	eV	Relay (... Calculated Property
log10WS	-2.91		Relay (... Calculated Property
logPoct/wat	2.731		Crippen Calculated Property
Pc	829.20	kPa	Relay (... Calculated Property ⚠️
Inp	[2312.60; 2312.60]
Inp	2312.60		NIST
Inp	2312.60		NIST
Tboil	637.38	K	Relay (... Calculated Property
Tc	903.45	K	Relay (... Calculated Property
Tfus	403.73	K	Relay (... Calculated Property
Vc	0.995	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Benzoylnorecgonine, trimethylsilyl ester.

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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