- InChI
- InChI=1S/C17H14ClF5N2/c18-10-2-1-3-11(8-10)25-6-4-24(5-7-25)9-12-13(19)15(21)17(23)16(22)14(12)20/h1-3,8H,4-7,9H2
- InChI Key
- QIWCVOLBHFVJMQ-UHFFFAOYSA-N
- Formula
- C17H14ClF5N2
- SMILES
-
Fc1c(F)c(F)c(CN2CCN(c3cccc(Cl)
c3)CC2)c(F)c1F - Molecular Weight1
- 376.75
- 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.
- I : 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 | 0.6610 | Relay (1.0) Calculated Property | |
| ΔfG° | -377.49 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -528.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.358 | Crippen Calculated Property | |
| McVol | 233.060 | ml/mol | McGowan Calculated Property |
| Pc | 1658.55 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1971.00 | NIST | |
| I | [2673.00; 2752.00] |
|
|
| I | 2752.00 | NIST | |
| I | 2673.00 | NIST | |
| Tboil | 640.42 | K | Relay (1.0) Calculated Property |
| Tc | 864.16 | K | Relay (1.0) Calculated Property |
| Tfus | 359.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.845 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to MCPP, PFB.
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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