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

InChI

InChI=1S/C22H37NO3Si2/c1-27(2,3)23-18-12-13-19(23)15-20(14-18)26-22(24)21(16-25-28(4,5)6)17-10-8-7-9-11-17/h7-11,18-21H,12-16H2,1-6H3

InChI Key

YDKRGRYDQDNSQP-UHFFFAOYSA-N

Formula

C22H37NO3Si2

SMILES

C[Si](C)(C)OCC(C(=O)OC1CC2CCC(C1)N2[Si](C)(C)C)c1ccccc1

Molecular Weight¹

419.71

• 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	0.6854		Relay (1.0) Calculated Property
ΔfG°	-45.96	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-740.52	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	94.51	kJ/mol	Relay (1.0) Calculated Property
IE	7.87	eV	Relay (1.0) Calculated Property
log10WS	-3.42		Relay (1.0) Calculated Property
logPoct/wat	4.995		Crippen Calculated Property
Pc	517.04	kPa	Relay (1.0-beta) Calculated Property
Inp	[2342.00; 2342.00]
Inp	2342.00		NIST
Inp	2342.00		NIST
Tboil	650.44	K	Relay (1.0) Calculated Property
Tc	921.69	K	Relay (1.0) Calculated Property
Tfus	369.26	K	Relay (1.0) Calculated Property
Vc	1.290	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Noratropine, 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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