Chemical Properties of Benzoic acid, 2-[(trimethylsilyl)amino]-, trimethylsilyl ester (CAS 18406-07-0)

InChI

InChI=1S/C13H23NO2Si2/c1-17(2,3)14-12-10-8-7-9-11(12)13(15)16-18(4,5)6/h7-10,14H,1-6H3

InChI Key

IQRKGLWGOYKGPT-UHFFFAOYSA-N

Formula

C13H23NO2Si2

SMILES

C[Si](C)(C)Nc1ccccc1C(=O)O[Si](C)(C)C

Molecular Weight¹

281.50

CAS

18406-07-0

Other Names

• Anthranilic acid, N-(trimethylsilyl)-, trimethylsilyl ester
• Trimethylsilyl 2-[(trimethylsilyl)amino]benzoate
• Benzoic acid, 2-amino, bis-TMS
• Benzoic acid, 2-amino, TMS
• Anthranilic acid, 2TMS
• Anthranilic 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	0.6385		Relay (... Calculated Property
ΔfG°	-59.13	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-594.20	kJ/mol	Relay (... Calculated Property
ΔvapH°	72.41	kJ/mol	Relay (... Calculated Property
IE	8.38	eV	Relay (... Calculated Property
log10WS	-3.68		Relay (... Calculated Property
logPoct/wat	3.925		Crippen Calculated Property
Pc	1398.32	kPa	Relay (... Calculated Property ⚠️
Inp	[1600.00; 1618.00]
Inp	1609.00		NIST
Inp	1600.00		NIST
Inp	1618.00		NIST
Inp	1605.20		NIST
Inp	1609.00		NIST
Inp	1618.00		NIST
Tboil	554.13	K	Relay (... Calculated Property
Tc	779.01	K	Relay (... Calculated Property
Tfus	316.22	K	Relay (... Calculated Property
Vc	0.887	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-[(trimethylsilyl)amino]-, 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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