- InChI
- InChI=1S/C13H8F2N2O3/c14-10-5-2-6-11(15)12(10)13(18)16-8-3-1-4-9(7-8)17(19)20/h1-7H,(H,16,18)
- InChI Key
- QCVSMYWOKQQNCW-UHFFFAOYSA-N
- Formula
- C13H8F2N2O3
- SMILES
-
O=[N+]([O-])c1cccc(N=C(O)c2c(F
)cccc2F)c1 - Molecular Weight1
- 278.21
- CAS
- 294852-79-2
- 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).
- 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 | 0.8437 | Relay (1.0) Calculated Property | |
| ΔfG° | -79.35 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -334.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 118.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.509 | Crippen Calculated Property | |
| McVol | 179.020 | ml/mol | McGowan Calculated Property |
| Pc | 2670.78 | kPa | Joback Calculated Property |
| Inp | [2318.00; 2318.00] |
|
|
| Inp | 2318.00 | NIST | |
| Inp | 2318.00 | NIST | |
| Tboil | 609.18 | K | Relay (1.0) Calculated Property |
| Tc | 943.02 | K | Relay (1.0) Calculated Property |
| Tfus | 437.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.627 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Benzenamine, N-[(4-methoxyphenyl)methylidene]-3-nitro-.](data:image/png;base64,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)
Find more compounds similar to Benzamide, N-(3-nitrophenyl)-2,6-difluoro-.
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
- Joback Method
- McGowan Method
- NIST Webbook
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