- InChI
- InChI=1S/C15H15F3N2O4/c1-9(21)19-5-6-20(14(23)8-19)11-3-4-13(24-10(2)22)12(7-11)15(16,17)18/h3-4,7H,5-6,8H2,1-2H3
- InChI Key
- ZLJDNCBIQATRNB-UHFFFAOYSA-N
- Formula
- C15H15F3N2O4
- SMILES
-
CC(=O)Oc1ccc(N2CCN(C(C)=O)CC2=
O)cc1C(F)(F)F - Molecular Weight1
- 344.29
- 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).
- 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 | 0.7749 | Relay (1.0) Calculated Property | |
| ΔfG° | -744.42 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1205.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.826 | Crippen Calculated Property | |
| McVol | 223.440 | ml/mol | McGowan Calculated Property |
| Pc | 1513.20 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2275.00; 2275.00] |
|
|
| Inp | 2275.00 | NIST | |
| Inp | 2275.00 | NIST | |
| Tboil | 640.27 | K | Relay (1.0) Calculated Property |
| Tc | 872.67 | K | Relay (1.0) Calculated Property |
| Tfus | 391.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.816 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Piperazine, 2-keto-1-(3-trifluoromethylphenyl), 4-acetyl, acetoxy-M.
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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