Chemical Properties of 1-butyloxy-silatrane

InChI

InChI=1S/C10H21NO4Si/c1-2-3-7-12-16-13-8-4-11(5-9-14-16)6-10-15-16/h2-10H2,1H3

InChI Key

LHENVKXAGOWFHW-UHFFFAOYSA-N

Formula

C10H21NO4Si

SMILES

CCCCO[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	0.5380		Relay (... Calculated Property
ΔfG°	-205.95	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-862.00	kJ/mol	Relay (... Calculated Property
ΔvapH°	51.73	kJ/mol	Relay (... Calculated Property
IE	8.76	eV	Relay (... Calculated Property
log10WS	-0.28		Relay (... Calculated Property
logPoct/wat	0.618		Crippen Calculated Property
Pc	2233.19	kPa	Relay (... Calculated Property ⚠️
Inp	[1780.00; 1780.00]
Inp	1780.00		NIST
Inp	1780.00		NIST
I	[2943.00; 2943.00]
I	2943.00		NIST
I	2943.00		NIST
Tboil	529.18	K	Relay (... Calculated Property
Tc	754.51	K	Relay (... Calculated Property
Tfus	305.27	K	Relay (... Calculated Property
Vc	0.709	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 1-butyloxy-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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