Chemical Properties of Phenaceturic acid, tert-butyldimethylsilyl ester

InChI

InChI=1S/C16H25NO3Si/c1-16(2,3)21(4,5)20-15(19)12-17-14(18)11-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3,(H,17,18)

InChI Key

BQEYXUXCTREUKK-UHFFFAOYSA-N

Formula

C16H25NO3Si

SMILES

CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)Cc1ccccc1

Molecular Weight¹

307.46

Other Names

• tert-Butyl(dimethyl)silyl N-(phenylacetyl)glycinate
• Phenaceturic acid, tbdms derivative

• 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	0.6864		Relay (1.0) Calculated Property
ΔfG°	-109.48	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-660.12	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	84.35	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-2.97		Relay (1.0) Calculated Property
logPoct/wat	2.894		Crippen Calculated Property
Pc	1715.10	kPa	Relay (1.0-beta) Calculated Property
Inp	[2146.30; 2146.30]
Inp	2146.30		NIST
Inp	2146.30		NIST
Tboil	597.08	K	Relay (1.0) Calculated Property
Tc	842.48	K	Relay (1.0) Calculated Property
Tfus	375.09	K	Relay (1.0) Calculated Property
Vc	0.909	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Phenaceturic acid, tert-butyldimethylsilyl ester.

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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