Chemical Properties of 1-benzyl, 4,4,7,10-tetramethylsilatrane, a

InChI

InChI=1S/C17H27NO3Si/c1-14-10-18-11-15(2)21-22(20-14,19-13-17(18,3)4)12-16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3

InChI Key

QKTHTNVMCPWGHL-UHFFFAOYSA-N

Formula

C17H27NO3Si

SMILES

CC1CN2CC(C)O[Si](Cc3ccccc3)(OCC2(C)C)O1

Molecular Weight¹

321.49

• 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	0.5188		Relay (... Calculated Property
ΔfG°	11.38	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-610.58	kJ/mol	Relay (... Calculated Property
ΔvapH°	71.81	kJ/mol	Relay (... Calculated Property
IE	8.05	eV	Relay (... Calculated Property
log10WS	-2.22		Relay (... Calculated Property
logPoct/wat	2.642		Crippen Calculated Property
Pc	1582.53	kPa	Relay (... Calculated Property ⚠️
Inp	[2090.00; 2090.00]
Inp	2090.00		NIST
Inp	2090.00		NIST
Tboil	605.59	K	Relay (... Calculated Property
Tc	851.25	K	Relay (... Calculated Property
Tfus	391.14	K	Relay (... Calculated Property
Vc	0.965	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 1-benzyl, 4,4,7,10-tetramethylsilatrane, a.

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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