Chemical Properties of Niflumic acid methyl derivative (CAS 59361-45-4)

InChI

InChI=1S/C14H11F3N2O2/c1-21-13(20)11-6-3-7-18-12(11)19-10-5-2-4-9(8-10)14(15,16)17/h2-8H,1H3,(H,18,19)

InChI Key

GDDOBIMJBJFCTR-UHFFFAOYSA-N

Formula

C14H11F3N2O2

SMILES

COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1

Molecular Weight¹

296.24

CAS

59361-45-4

Other Names

• Niflumic acid, methyl ester

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	89.51	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.79		Relay (1.0) Calculated Property
logPoct/wat	3.631		Crippen Calculated Property
McVol	193.310	ml/mol	McGowan Calculated Property
Inp	[1918.30; 1960.00]
Inp	1960.00		NIST
Inp	1918.30		NIST
Inp	1918.30		NIST
Inp	1960.00		NIST
Tfus	403.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Niflumic acid methyl derivative.

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
• McGowan Method
• NIST Webbook

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