Chemical Properties of 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-methyl- (CAS 2288-13-3)

InChI

InChI=1S/C7H15NO3Si/c1-12-9-5-2-8(3-6-10-12)4-7-11-12/h2-7H2,1H3

InChI Key

DZLQWMNVOBAZGC-UHFFFAOYSA-N

Formula

C7H15NO3Si

SMILES

C[Si]12OCCN(CCO1)CCO2

Molecular Weight¹

189.28

CAS

2288-13-3

Other Names

• 1-Methylsilatrane
• Methylsilatrane
• Methylsilatran
• 1-Methyl-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	0.3972		Relay (... Calculated Property
ΔfG°	-122.43	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-630.67	kJ/mol	Relay (... Calculated Property
ΔvapH°	46.94	kJ/mol	Relay (... Calculated Property
IE	[7.50; 8.70]	eV
IE	7.50	eV	NIST
IE	8.50 ± 0.10	eV	NIST
IE	8.49	eV	NIST
IE	8.70	eV	NIST
log10WS	0.44		Relay (... Calculated Property
logPoct/wat	-0.066		Crippen Calculated Property
Pc	3019.16	kPa	Relay (... Calculated Property ⚠️
Inp	1387.00		NIST
I	2258.00		NIST
Tboil	485.56	K	Relay (... Calculated Property
Tc	690.52	K	Relay (... Calculated Property
Tfus	382.42	K	Relay (... Calculated Property
Vc	0.522	m3/kmol	Relay (... Calculated Property

Similar Compounds

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

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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