- InChI
- InChI=1S/C9H6F3N9O15/c10-7(16(22)23,17(24)25)1-34-4-13-5(35-2-8(11,18(26)27)19(28)29)15-6(14-4)36-3-9(12,20(30)31)21(32)33/h1-3H2
- InChI Key
- GJYPVHOKDDJFAH-UHFFFAOYSA-N
- Formula
- C9H6F3N9O15
- SMILES
-
O=[N+]([O-])C(F)(COc1nc(OCC(F)
([N+](=O)[O-])[N+](=O)[O-])nc( OCC(F)([N+](=O)[O-])[N+](=O)[O -])n1)[N+](=O)[O-] - Molecular Weight1
- 537.19
- CAS
- 28820-59-9
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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 | 1.1045 | Relay (... Calculated Property | |
| ΔcH°solid | -3827.60 ± 1.20 | kJ/mol | NIST |
| ΔfG° | -58.61 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -926.19 | kJ/mol | Relay (... Calculated Property |
| ΔfH°solid | -1109.80 ± 1.50 | kJ/mol | NIST |
| ΔvapH° | 123.60 | kJ/mol | Relay (... Calculated Property |
| IE | 11.87 | eV | Relay (... Calculated Property |
| log10WS | -6.41 | Relay (... Calculated Property | |
| logPoct/wat | -1.462 | Crippen Calculated Property | |
| McVol | 271.290 | ml/mol | McGowan Calculated Property |
| Pc | 1588.76 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 526.95 | K | Relay (... Calculated Property |
| Tc | 983.31 | K | Relay (... Calculated Property |
| Tfus | 441.93 | K | Relay (... Calculated Property |
| Vc | 0.934 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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)
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