- InChI
- InChI=1S/C10H4F6N2O5/c11-9(12,13)7(19)17-5-3-4(18(21)22)1-2-6(5)23-8(20)10(14,15)16/h1-3H,(H,17,19)
- InChI Key
- FDSRBYSCQBQBBA-UHFFFAOYSA-N
- Formula
- C10H4F6N2O5
- SMILES
-
O=C(Oc1ccc([N+](=O)[O-])cc1N=C
(O)C(F)(F)F)C(F)(F)F - Molecular Weight1
- 346.14
- 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 | 0.8418 | Relay (1.0) Calculated Property | |
| ΔfG° | -1179.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1600.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.213 | Crippen Calculated Property | |
| McVol | 175.030 | ml/mol | McGowan Calculated Property |
| Pc | 2358.78 | kPa | Joback Calculated Property |
| Inp | 1478.00 | NIST | |
| Tboil | 541.85 | K | Relay (1.0) Calculated Property |
| Tc | 790.28 | K | Relay (1.0) Calculated Property |
| Tfus | 427.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.624 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Nitrobenzene, 3-trifluoroacetylamino-4-trifluoroacetyloxy-.
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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