Chemical Properties of 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-ethyl- (CAS 2097-16-7)

InChI

InChI=1S/C8H17NO3Si/c1-2-13-10-6-3-9(4-7-11-13)5-8-12-13/h2-8H2,1H3

InChI Key

BJMVMCLSNWRFSD-UHFFFAOYSA-N

Formula

C8H17NO3Si

SMILES

CC[Si]12OCCN(CCO1)CCO2

Molecular Weight¹

203.31

CAS

2097-16-7

Other Names

• 1-Ethylsilatrane
• Ethylsilatrane
• 1-ethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

• 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	0.4220		Relay (1.0) Calculated Property
ΔfG°	-124.05	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-612.60	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	52.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	0.17		Relay (1.0) Calculated Property
logPoct/wat	0.324		Crippen Calculated Property
Pc	2850.67	kPa	Relay (1.0-beta) Calculated Property
Inp	[1462.00; 1462.00]
Inp	1462.00		NIST
Inp	1462.00		NIST
I	2294.00		NIST
Tboil	504.07	K	Relay (1.0) Calculated Property
Tc	725.57	K	Relay (1.0) Calculated Property
Tfus	356.35	K	Relay (1.0) Calculated Property
Vc	0.561	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-ethyl-.

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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