- InChI
- InChI=1S/C15H13F3N2O2/c1-9-11(15(16,17)18)6-3-7-12(9)20-13-10(14(21)22-2)5-4-8-19-13/h3-8H,1-2H3,(H,19,20)
- InChI Key
- YKASBHLSNBJQJF-UHFFFAOYSA-N
- Formula
- C15H13F3N2O2
- SMILES
-
COC(=O)c1cccnc1Nc1cccc(C(F)(F)
F)c1C - Molecular Weight1
- 310.27
- CAS
- 75369-63-0
- Other Names
-
- Flunixin methyl derivative
- Flunixin, methyl deriv.
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (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).
- 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 | 0.6948 | Relay (... Calculated Property | |
| ΔfG° | -470.52 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -827.97 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 92.31 | kJ/mol | Relay (... Calculated Property |
| IE | 7.84 | eV | Relay (... Calculated Property |
| log10WS | -4.72 | Relay (... Calculated Property | |
| logPoct/wat | 3.939 | Crippen Calculated Property | |
| McVol | 207.400 | ml/mol | McGowan Calculated Property |
| Pc | 2602.79 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 626.28 | K | Relay (... Calculated Property |
| Tc | 893.25 | K | Relay (... Calculated Property |
| Tfus | 397.11 | K | Relay (... Calculated Property |
| Vc | 0.739 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Flunixin methyl 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
- McGowan Method
- NIST Webbook
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