Chemical Properties of Flufenamic acid, trimethylsilyl ester

InChI

InChI=1S/C17H18F3NO2Si/c1-24(2,3)23-16(22)14-9-4-5-10-15(14)21-13-8-6-7-12(11-13)17(18,19)20/h4-11,21H,1-3H3

InChI Key

MBBVKZYGIKZDSK-UHFFFAOYSA-N

Formula

C17H18F3NO2Si

SMILES

C[Si](C)(C)OC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1

Molecular Weight¹

353.41

• 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	0.7177		Relay (1.0) Calculated Property
ΔfG°	-509.73	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-994.02	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	89.81	kJ/mol	Relay (1.0) Calculated Property
IE	7.89	eV	Relay (1.0) Calculated Property
log10WS	-5.31		Relay (1.0) Calculated Property
logPoct/wat	5.441		Crippen Calculated Property
Pc	1806.46	kPa	Relay (1.0-beta) Calculated Property
Inp	[2003.30; 2003.30]
Inp	2003.30		NIST
Inp	2003.30		NIST
Tboil	636.00	K	Relay (1.0) Calculated Property
Tc	886.69	K	Relay (1.0) Calculated Property
Tfus	371.90	K	Relay (1.0) Calculated Property
Vc	0.908	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Flufenamic acid, trimethylsilyl 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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