- InChI
- InChI=1S/C12H8F4N2/c13-11(14,9-4-2-1-3-5-9)12(15,16)10-8-17-6-7-18-10/h1-8H
- InChI Key
- VOHULKRTQBHUJI-UHFFFAOYSA-N
- Formula
- C12H8F4N2
- SMILES
- FC(F)(c1ccccc1)C(F)(F)c1cnccn1
- Molecular Weight1
- 256.20
- CAS
- 116403-10-2
- 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 | 0.4132 | Relay (1.0) Calculated Property | |
| ΔfG° | -450.24 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -562.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.360 | Crippen Calculated Property | |
| McVol | 159.460 | ml/mol | McGowan Calculated Property |
| Pc | 2521.33 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 523.54 | K | Relay (1.0) Calculated Property |
| Tc | 794.86 | K | Relay (1.0) Calculated Property |
| Tfus | 303.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.596 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenyl-2-pyrazyl-tetrafluoroethane.
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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