Chemical Properties of 1-Cyano-4-diphenyl(tert-butyl)silyloxybenzene

InChI

InChI=1S/C23H23NOSi/c1-23(2,3)26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-20-16-14-19(18-24)15-17-20/h4-17H,1-3H3

InChI Key

MSMFGQDWRPGJSZ-UHFFFAOYSA-N

Formula

C23H23NOSi

SMILES

CC(C)(C)[Si](Oc1ccc(C#N)cc1)(c1ccccc1)c1ccccc1

Molecular Weight¹

357.53

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6504		Relay (1.0) Calculated Property
ΔfG°	397.49	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	129.59	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	94.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-5.89		Relay (1.0) Calculated Property
logPoct/wat	4.497		Crippen Calculated Property
Pc	1280.96	kPa	Relay (1.0-beta) Calculated Property
Inp	[2600.00; 2600.00]
Inp	2600.00		NIST
Inp	2600.00		NIST
Tboil	685.94	K	Relay (1.0) Calculated Property
Tc	1003.89	K	Relay (1.0) Calculated Property
Tfus	421.22	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to 1-Cyano-4-diphenyl(tert-butyl)silyloxybenzene.

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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