Chemical Properties of Atropine, picolinyloxydimethylsilyl ether

InChI

InChI=1S/C25H34N2O4Si/c1-27-21-11-12-22(27)15-23(14-21)31-25(28)24(20-9-5-4-6-10-20)18-30-32(2,3)29-17-19-8-7-13-26-16-19/h4-10,13,16,21-24H,11-12,14-15,17-18H2,1-3H3

InChI Key

HZUONDUIRBLNQS-UHFFFAOYSA-N

Formula

C25H34N2O4Si

SMILES

CN1C2CCC1CC(OC(=O)C(CO[Si](C)(C)OCc1cccnc1)c1ccccc1)C2

Molecular Weight¹

454.63

• 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	0.8196		Relay (... Calculated Property
ΔfG°	37.59	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-631.40	kJ/mol	Relay (... Calculated Property
ΔvapH°	125.91	kJ/mol	Relay (... Calculated Property
IE	8.27	eV	Relay (... Calculated Property
log10WS	-2.82		Relay (... Calculated Property
logPoct/wat	4.269		Crippen Calculated Property
Pc	649.84	kPa	Relay (... Calculated Property ⚠️
Inp	[3066.90; 3066.90]
Inp	3066.90		NIST
Inp	3066.90		NIST
Tboil	720.34	K	Relay (... Calculated Property
Tc	1035.36	K	Relay (... Calculated Property
Tfus	371.55	K	Relay (... Calculated Property
Vc	1.328	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Atropine, picolinyloxydimethylsilyl 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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