Chemical Properties of 1-Cyclopropylsilatrane

InChI

InChI=1S/C9H17NO3Si/c1-2-9(1)14-11-6-3-10(4-7-12-14)5-8-13-14/h9H,1-8H2

InChI Key

LYFOHNMMWOQOBZ-UHFFFAOYSA-N

Formula

C9H17NO3Si

SMILES

C1CN2CCO[Si](C3CC3)(O1)OCC2

Molecular Weight¹

215.32

• 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	0.4544		Relay (1.0) Calculated Property
ΔfG°	-99.68	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-521.80	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	55.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-0.14		Relay (1.0) Calculated Property
logPoct/wat	0.468		Crippen Calculated Property
Pc	2744.99	kPa	Relay (1.0-beta) Calculated Property
Inp	1608.00		NIST
I	[2558.00; 2558.00]
I	2558.00		NIST
I	2558.00		NIST
Tboil	530.25	K	Relay (1.0) Calculated Property
Tc	800.60	K	Relay (1.0) Calculated Property
Tfus	394.97	K	Relay (1.0) Calculated Property
Vc	0.599	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-Cyclopropylsilatrane.

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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