Chemical Properties of Niflumic acid tbdms

InChI

InChI=1S/C19H23F3N2O2Si/c1-18(2,3)27(4,5)26-17(25)15-10-7-11-23-16(15)24-14-9-6-8-13(12-14)19(20,21)22/h6-12H,1-5H3,(H,23,24)

InChI Key

ABVMYTKMQZELRT-UHFFFAOYSA-N

Formula

C19H23F3N2O2Si

SMILES

CC(C)(C)[Si](C)(C)OC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1

Molecular Weight¹

396.48

Other Names

• Niflumic acid, tbdms 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	0.7613		Relay (1.0) Calculated Property
ΔfG°	-433.79	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1014.16	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	91.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.02	eV	Relay (1.0) Calculated Property
log10WS	-5.73		Relay (1.0) Calculated Property
logPoct/wat	6.006		Crippen Calculated Property
Pc	1827.11	kPa	Relay (1.0-beta) Calculated Property
Inp	[2335.60; 2335.60]
Inp	2335.60		NIST
Inp	2335.60		NIST
Tboil	646.76	K	Relay (1.0) Calculated Property
Tc	939.12	K	Relay (1.0) Calculated Property
Tfus	406.60	K	Relay (1.0) Calculated Property
Vc	1.030	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Niflumic acid 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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