- InChI
- InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
- InChI Key
- JZFPYUNJRRFVQU-UHFFFAOYSA-N
- Formula
- C13H9F3N2O2
- SMILES
-
O=C(O)c1cccnc1Nc1cccc(C(F)(F)F
)c1 - Molecular Weight1
- 282.22
- CAS
- 4394-00-7
- Other Names
-
- 2-(3-(Trifluoromethyl)-phenyl)aminonicotinic acid
- 2-[3-(Trifluoromethyl)anilino]-3-pyridinecarboxylic acid
- 2-[3-(Trifluoromethyl)anilino]nicotinic acid
- 2-[3-(Trifluoromethyl)anilino]nicotinic acid (niflumic acid)
- 2-[[3-(trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic acid
- 3- pyridinecarboxylic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-
- 3-Pyridinecarboxylic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-
- Acide niflumique
- Acido niflumico
- Actol
- Actol, analgesic
- Flogovital
- Forenol
- Landruma
- Nicotinic acid, 2-(«alpha»,«alpha»,«alpha»-trifluoro-m-toluidino)-
- Nicotinic acid, 2-(«alpha»,«alpha»,«alpha»-trifluoro-m-toluidino)-
- Niflamol
- Nifluminic acid
- Nifluril
- UP 83
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8171 | Relay (1.0) Calculated Property | |
| ΔfG° | -506.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -811.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | 130.20 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 107.50 | kJ/mol | NIST |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.00 | Aq. Solubility Prediction | |
| logPoct/wat | 3.542 | Crippen Calculated Property | |
| McVol | 179.220 | ml/mol | McGowan Calculated Property |
| Pc | 3553.08 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2093.00 | NIST | |
| Tboil | 628.27 | K | Relay (1.0) Calculated Property |
| Tc | 931.64 | K | Relay (1.0) Calculated Property |
| Tfus | [476.00; 477.15] | K |
|
| Tfus | 477.15 | K | Determination, correlation and prediction of the solubilities of niflumic acid, clofenamic acid and tolfenamic acid in supercritical CO2 |
| Tfus | 476.00 ± 0.10 | K | NIST |
| Vc | 0.630 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [32.73; 38.00] | kJ/mol | [476.00; 478.00] |
|
| ΔfusH | 38.00 | kJ/mol | 476.00 | NIST |
| ΔfusH | 35.70 | kJ/mol | 476.40 | NIST |
| ΔfusH | 32.73 | kJ/mol | 477.20 | NIST |
| ΔfusH | 36.50 | kJ/mol | 478.00 | NIST |
| ΔsubH | 127.80 ± 0.80 | kJ/mol | 375.50 | NIST |
Similar Compounds
Find more compounds similar to Niflumic acid.
Mixtures
- Carbon dioxide + Niflumic acid
- n-Hexane + Niflumic acid
- Carbon Tetrachloride + Niflumic acid
- Acetonitrile + Niflumic acid
- Benzene, chloro- + Niflumic acid
- Ethanol + Niflumic acid
- Trichloromethane + Niflumic acid
- Acetone + Niflumic acid
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
- Determination, correlation and prediction of the solubilities of niflumic acid, clofenamic acid and tolfenamic acid in supercritical CO2
- Solubilities of Organic Semiconductors and Nonsteroidal Anti-inflammatory Drugs in Pure and Mixed Organic Solvents: Measurement and Modeling with Hansen Solubility Parameter
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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