Chemical Properties of 1-Cyclohexylsilatrane (CAS 31865-49-3)

InChI

InChI=1S/C12H23NO3Si/c1-2-4-12(5-3-1)17-14-9-6-13(7-10-15-17)8-11-16-17/h12H,1-11H2

InChI Key

MVTYGOLWLNDFRD-UHFFFAOYSA-N

Formula

C12H23NO3Si

SMILES

C1CCC([Si]23OCCN(CCO2)CCO3)CC1

Molecular Weight¹

257.40

CAS

31865-49-3

• 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	0.4638		Relay (1.0) Calculated Property
ΔfG°	-67.22	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-623.22	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	61.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.24	eV	Relay (1.0) Calculated Property
log10WS	-1.11		Relay (1.0) Calculated Property
logPoct/wat	1.639		Crippen Calculated Property
Pc	2180.72	kPa	Relay (1.0-beta) Calculated Property
Inp	[1901.00; 1901.00]
Inp	1901.00		NIST
Inp	1901.00		NIST
I	[2747.00; 2747.00]
I	2747.00		NIST
I	2747.00		NIST
Tboil	579.59	K	Relay (1.0) Calculated Property
Tc	843.75	K	Relay (1.0) Calculated Property
Tfus	394.74	K	Relay (1.0) Calculated Property
Vc	0.730	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-Cyclohexylsilatrane.

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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