Chemical Properties of 6-Hydroxynicotinic acid, tert-butyldimethylsilyl ether, tert-butyldimethylsilyl ester

InChI

InChI=1S/C18H33NO3Si2/c1-17(2,3)23(7,8)21-15-12-11-14(13-19-15)16(20)22-24(9,10)18(4,5)6/h11-13H,1-10H3

InChI Key

WISWOGPTZSFKOG-UHFFFAOYSA-N

Formula

C18H33NO3Si2

SMILES

CC(C)(C)[Si](C)(C)OC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)nc1

Molecular Weight¹

367.63

Other Names

• 6-Hydroxynicotinic 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	0.7142		Relay (1.0) Calculated Property
ΔfG°	-107.86	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-824.13	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	71.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-4.53		Relay (1.0) Calculated Property
logPoct/wat	5.628		Crippen Calculated Property
Pc	1429.78	kPa	Relay (1.0-beta) Calculated Property
Inp	[2047.20; 2047.20]
Inp	2047.20		NIST
Inp	2047.20		NIST
Tboil	588.42	K	Relay (1.0) Calculated Property
Tc	844.41	K	Relay (1.0) Calculated Property
Tfus	388.40	K	Relay (1.0) Calculated Property
Vc	1.182	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 6-Hydroxynicotinic acid, tert-butyldimethylsilyl ether, 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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