Chemical Properties of Glycine, N-benzoyl-N-(trimethylsilyl)-, trimethylsilyl ester (CAS 55133-85-2)

InChI

InChI=1S/C15H25NO3Si2/c1-20(2,3)16(12-14(17)19-21(4,5)6)15(18)13-10-8-7-9-11-13/h7-11H,12H2,1-6H3

InChI Key

ISPSCQNROBRNPC-UHFFFAOYSA-N

Formula

C15H25NO3Si2

SMILES

C[Si](C)(C)OC(=O)CN(C(=O)c1ccccc1)[Si](C)(C)C

Molecular Weight¹

323.53

CAS

55133-85-2

Other Names

• Hippuric acid, diTMS
• Hippuric acid (2TMS)
• Hippuric acid, N-trimethylsilyl-, trimethylsilyl ester
• Hippuric acid (TMS)
• Hippuric acid, 2tms 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	0.6567		Relay (1.0) Calculated Property
ΔfG°	-88.92	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-683.94	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	80.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	-2.85		Relay (1.0) Calculated Property
logPoct/wat	3.342		Crippen Calculated Property
Pc	1108.24	kPa	Relay (1.0-beta) Calculated Property
Inp	[1785.00; 1822.00]
Inp	1820.00		NIST
Inp	1800.00		NIST
Inp	1789.00		NIST
Inp	1822.00		NIST
Inp	1800.00		NIST
Inp	1822.00		NIST
Inp	1785.00		NIST
Inp	1799.10		NIST
Inp	1785.00		NIST
Inp	1799.10		NIST
Tboil	592.08	K	Relay (1.0) Calculated Property
Tc	798.02	K	Relay (1.0) Calculated Property
Tfus	328.69	K	Relay (1.0) Calculated Property
Vc	0.995	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Glycine, N-benzoyl-N-(trimethylsilyl)-, trimethylsilyl 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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