- InChI
- InChI=1S/C15H10F5NO/c1-8(9-5-3-2-4-6-9)21-22-7-10-11(16)13(18)15(20)14(19)12(10)17/h2-6H,7H2,1H3
- InChI Key
- MICGAUDRWWJXQO-UHFFFAOYSA-N
- Formula
- C15H10F5NO
- SMILES
-
CC(=NOCc1c(F)c(F)c(F)c(F)c1F)c
1ccccc1 - Molecular Weight1
- 315.24
- 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 | 0.6747 | Relay (... Calculated Property | |
| ΔfG° | -527.48 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -603.21 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 81.41 | kJ/mol | Relay (... Calculated Property |
| IE | 8.66 | eV | Relay (... Calculated Property |
| log10WS | -5.86 | Relay (... Calculated Property | |
| logPoct/wat | 4.323 | Crippen Calculated Property | |
| McVol | 195.090 | ml/mol | McGowan Calculated Property |
| Pc | 1717.45 | kPa | Joback Calculated Property |
| Inp | 1646.00 | NIST | |
| I | 2171.00 | NIST | |
| Tboil | 573.83 | K | Relay (... Calculated Property |
| Tc | 793.02 | K | Relay (... Calculated Property |
| Tfus | 338.11 | K | Relay (... Calculated Property |
| Vc | 0.720 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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)
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Sources
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- Crippen Method
- Crippen Method
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- McGowan Method
- NIST Webbook
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