Chemical Properties of o-Aminobenzoic acid, N-isoBOC TBDMS

InChI

InChI=1S/C18H29NO4Si/c1-13(2)12-22-17(21)19-15-11-9-8-10-14(15)16(20)23-24(6,7)18(3,4)5/h8-11,13H,12H2,1-7H3,(H,19,21)

InChI Key

PTXBZJWBHDUQPB-UHFFFAOYSA-N

Formula

C18H29NO4Si

SMILES

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

Molecular Weight¹

351.51

• 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	0.8429		Relay (... Calculated Property
ΔfG°	-225.09	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-919.65	kJ/mol	Relay (... Calculated Property
ΔvapH°	86.43	kJ/mol	Relay (... Calculated Property
IE	8.38	eV	Relay (... Calculated Property
log10WS	-4.47		Relay (... Calculated Property
logPoct/wat	5.053		Crippen Calculated Property
Pc	1522.01	kPa	Relay (... Calculated Property ⚠️
Inp	[2211.00; 2211.00]
Inp	2211.00		NIST
Inp	2211.00		NIST
Tboil	619.05	K	Relay (... Calculated Property
Tc	866.44	K	Relay (... Calculated Property
Tfus	354.97	K	Relay (... Calculated Property
Vc	1.047	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to o-Aminobenzoic acid, N-isoBOC TBDMS.

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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