Chemical Properties of 1-(«alpha»-naphthyl)silatrane

InChI

InChI=1S/C16H19NO3Si/c1-2-6-15-14(4-1)5-3-7-16(15)21-18-11-8-17(9-12-19-21)10-13-20-21/h1-7H,8-13H2

InChI Key

GJMBSQWDMIGUJH-UHFFFAOYSA-N

Formula

C16H19NO3Si

SMILES

c1ccc2c([Si]34OCCN(CCO3)CCO4)cccc2c1

Molecular Weight¹

301.41

• 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	0.5601		Relay (1.0) Calculated Property
ΔfG°	83.45	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-382.16	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	88.56	kJ/mol	Relay (1.0) Calculated Property
IE	7.87	eV	Relay (1.0) Calculated Property
log10WS	-2.40		Relay (1.0) Calculated Property
logPoct/wat	1.365		Crippen Calculated Property
Pc	2035.46	kPa	Relay (1.0-beta) Calculated Property
Inp	[2718.00; 2718.00]
Inp	2718.00		NIST
Inp	2718.00		NIST
Tboil	652.92	K	Relay (1.0) Calculated Property
Tc	953.84	K	Relay (1.0) Calculated Property
Tfus	419.93	K	Relay (1.0) Calculated Property
Vc	0.831	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-(«alpha»-naphthyl)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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