Chemical Properties of 1-Phenoxysilatrane (CAS 3463-22-7)

InChI

InChI=1S/C12H17NO4Si/c1-2-4-12(5-3-1)17-18-14-9-6-13(7-10-15-18)8-11-16-18/h1-5H,6-11H2

InChI Key

VXZOISSTUSCPNB-UHFFFAOYSA-N

Formula

C12H17NO4Si

SMILES

c1ccc(O[Si]23OCCN(CCO2)CCO3)cc1

Molecular Weight¹

267.35

CAS

3463-22-7

• 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	0.5216		Relay (1.0) Calculated Property
ΔfG°	-131.74	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-660.85	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	63.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	-1.04		Relay (1.0) Calculated Property
logPoct/wat	0.880		Crippen Calculated Property
Pc	2388.33	kPa	Relay (1.0-beta) Calculated Property
Inp	[2288.00; 2288.00]
Inp	2288.00		NIST
Inp	2288.00		NIST
Tboil	584.09	K	Relay (1.0) Calculated Property
Tc	854.06	K	Relay (1.0) Calculated Property
Tfus	379.53	K	Relay (1.0) Calculated Property
Vc	0.719	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-Phenoxysilatrane.

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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