Chemical Properties of 1-(p-Chlorophenyl)silatrane (CAS 29025-67-0)

InChI

InChI=1S/C12H16ClNO3Si/c13-11-1-3-12(4-2-11)18-15-8-5-14(6-9-16-18)7-10-17-18/h1-4H,5-10H2

InChI Key

IKFVTMCLFHXPQF-UHFFFAOYSA-N

Formula

C12H16ClNO3Si

SMILES

Clc1ccc([Si]23OCCN(CCO2)CCO3)cc1

Molecular Weight¹

285.80

CAS

29025-67-0

• 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	0.5072		Relay (1.0) Calculated Property
ΔfG°	-50.77	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-494.91	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	74.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-1.81		Relay (1.0) Calculated Property
logPoct/wat	0.865		Crippen Calculated Property
Pc	2424.00	kPa	Relay (1.0-beta) Calculated Property
Inp	[2343.00; 2343.00]
Inp	2343.00		NIST
Inp	2343.00		NIST
Tboil	588.80	K	Relay (1.0) Calculated Property
Tc	867.39	K	Relay (1.0) Calculated Property
Tfus	451.82	K	Relay (1.0) Calculated Property
Vc	0.716	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-(p-Chlorophenyl)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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