- InChI
- InChI=1S/C13H15F3N2O/c14-13(15,16)12(19)18-8-6-17(7-9-18)10-11-4-2-1-3-5-11/h1-5H,6-10H2
- InChI Key
- VZIHGMYACKUQQJ-UHFFFAOYSA-N
- Formula
- C13H15F3N2O
- SMILES
-
O=C(N1CCN(Cc2ccccc2)CC1)C(F)(F
)F - Molecular Weight1
- 272.27
- 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 | 0.4991 | Relay (1.0) Calculated Property | |
| ΔfG° | -358.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -632.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.893 | Crippen Calculated Property | |
| McVol | 186.250 | ml/mol | McGowan Calculated Property |
| Pc | 1784.69 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1718.00 | NIST | |
| Tboil | 572.85 | K | Relay (1.0) Calculated Property |
| Tc | 748.88 | K | Relay (1.0) Calculated Property |
| Tfus | 303.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.665 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-benzylpiperazine, TFA.
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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