Chemical Properties of Nicotinuric acid, TMS

InChI

InChI=1S/C14H24N2O3Si2/c1-20(2,3)18-13(17)11-16-14(19-21(4,5)6)12-8-7-9-15-10-12/h7-10H,11H2,1-6H3/b16-14-

InChI Key

IETZYMWRJRMAGK-PEZBUJJGSA-N

Formula

C14H24N2O3Si2

SMILES

C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)c1cccnc1

Molecular Weight¹

324.52

• 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	0.7137		Relay (1.0) Calculated Property
ΔfG°	-64.59	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-646.03	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	78.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-2.36		Relay (1.0) Calculated Property
logPoct/wat	3.058		Crippen Calculated Property
Pc	1264.02	kPa	Relay (1.0-beta) Calculated Property
Inp	[1848.00; 1848.00]
Inp	1848.00		NIST
Inp	1848.00		NIST
Tboil	586.42	K	Relay (1.0) Calculated Property
Tc	797.02	K	Relay (1.0) Calculated Property
Tfus	312.66	K	Relay (1.0) Calculated Property
Vc	0.993	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Nicotinuric acid, TMS.

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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