Chemical Properties of tert-butoxy-silatrane

InChI

InChI=1S/C10H21NO4Si/c1-10(2,3)15-16-12-7-4-11(5-8-13-16)6-9-14-16/h4-9H2,1-3H3

InChI Key

DXJQCIHOUZUIRZ-UHFFFAOYSA-N

Formula

C10H21NO4Si

SMILES

CC(C)(C)O[Si]12OCCN(CCO1)CCO2

Molecular Weight¹

247.36

• 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.
• I : 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	0.4796		Relay (1.0) Calculated Property
ΔfG°	-224.46	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-871.77	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	51.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-0.21		Relay (1.0) Calculated Property
logPoct/wat	0.616		Crippen Calculated Property
Pc	2067.18	kPa	Relay (1.0-beta) Calculated Property
Inp	[1602.00; 1602.00]
Inp	1602.00		NIST
Inp	1602.00		NIST
I	[2888.00; 2888.00]
I	2888.00		NIST
I	2888.00		NIST
Tboil	516.90	K	Relay (1.0) Calculated Property
Tc	741.61	K	Relay (1.0) Calculated Property
Tfus	365.45	K	Relay (1.0) Calculated Property
Vc	0.727	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to tert-butoxy-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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