Chemical Properties of 3-Aminosalicylic acid, ethoxycarbonylated, TBDMS

InChI

InChI=1S/C22H39NO5Si2/c1-12-26-20(25)23-17-15-13-14-16(18(17)27-29(8,9)21(2,3)4)19(24)28-30(10,11)22(5,6)7/h13-15H,12H2,1-11H3,(H,23,25)

InChI Key

QQPMBULQPJLFFO-UHFFFAOYSA-N

Formula

C22H39NO5Si2

SMILES

CCOC(=O)Nc1cccc(C(=O)O[Si](C)(C)C(C)(C)C)c1O[Si](C)(C)C(C)(C)C

Molecular Weight¹

453.72

• 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	0.9454		Relay (1.0) Calculated Property
ΔfG°	-314.61	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1226.53	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	89.72	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-4.80		Relay (1.0) Calculated Property
logPoct/wat	6.801		Crippen Calculated Property
Pc	1009.68	kPa	Relay (1.0-beta) Calculated Property
Inp	[2528.00; 2528.00]
Inp	2528.00		NIST
Inp	2528.00		NIST
Tboil	635.67	K	Relay (1.0) Calculated Property
Tc	912.83	K	Relay (1.0) Calculated Property
Tfus	366.46	K	Relay (1.0) Calculated Property
Vc	1.399	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-Aminosalicylic acid, ethoxycarbonylated, 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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