Chemical Properties of 1-(p-methylphenoxy)-silatrane

InChI

InChI=1S/C13H19NO4Si/c1-12-2-4-13(5-3-12)18-19-15-9-6-14(7-10-16-19)8-11-17-19/h2-5H,6-11H2,1H3

InChI Key

JSMJJRXGICSIMK-UHFFFAOYSA-N

Formula

C13H19NO4Si

SMILES

Cc1ccc(O[Si]23OCCN(CCO2)CCO3)cc1

Molecular Weight¹

281.38

• 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	0.5695		Relay (1.0) Calculated Property
ΔfG°	-142.46	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-704.73	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	64.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.10	eV	Relay (1.0) Calculated Property
log10WS	-1.55		Relay (1.0) Calculated Property
logPoct/wat	1.188		Crippen Calculated Property
Pc	2148.31	kPa	Relay (1.0-beta) Calculated Property
Inp	[2384.00; 2384.00]
Inp	2384.00		NIST
Inp	2384.00		NIST
Tboil	601.50	K	Relay (1.0) Calculated Property
Tc	860.24	K	Relay (1.0) Calculated Property
Tfus	372.33	K	Relay (1.0) Calculated Property
Vc	0.773	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-(p-methylphenoxy)-silatrane.

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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