Chemical Properties of 3-Hydroxyanthranilic acid, O-(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester

InChI

InChI=1S/C19H35NO3Si2/c1-18(2,3)24(7,8)22-15-13-11-12-14(16(15)20)17(21)23-25(9,10)19(4,5)6/h11-13H,20H2,1-10H3

InChI Key

ATJBEYONPISZBI-UHFFFAOYSA-N

Formula

C19H35NO3Si2

SMILES

CC(C)(C)[Si](C)(C)OC(=O)c1cccc(O[Si](C)(C)C(C)(C)C)c1N

Molecular Weight¹

381.66

Other Names

• tert-Butyl(dimethyl)silyl 2-amino-3-pyrrol[tert-butyl(dimethyl)silyl]oxymorphobenzoate
• 3-Hydroxyanthranilic acid, 2tbdms 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	0.7986		Relay (1.0) Calculated Property
ΔfG°	-115.63	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-845.10	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	78.12	kJ/mol	Relay (1.0) Calculated Property
IE	7.71	eV	Relay (1.0) Calculated Property
log10WS	-4.70		Relay (1.0) Calculated Property
logPoct/wat	5.815		Crippen Calculated Property
Pc	1228.62	kPa	Relay (1.0-beta) Calculated Property
Inp	[2260.80; 2260.80]
Inp	2260.80		NIST
Inp	2260.80		NIST
Tboil	614.46	K	Relay (1.0) Calculated Property
Tc	872.71	K	Relay (1.0) Calculated Property
Tfus	391.35	K	Relay (1.0) Calculated Property
Vc	1.213	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroxyanthranilic acid, O-(tert-butyldimethylsilyl)-, 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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