- InChI
- InChI=1S/CF3NO4/c2-1(3,4)8-9-5(6)7
- InChI Key
- IRCOOTKZKSUTLW-UHFFFAOYSA-N
- Formula
- CF3NO4
- SMILES
- O=[N+]([O-])OOC(F)(F)F
- Molecular Weight1
- 147.01
- CAS
- 50311-48-3
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -765.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.00 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 0.646 | Crippen Calculated Property | |
| McVol | 59.420 | ml/mol | McGowan Calculated Property |
| Tboil | 307.13 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.14; 153.63] | J/mol×K | [413.74; 605.38] | 
|
| Cp,gas | 130.14 | J/mol×K | 413.74 | Joback Calculated Property |
| Cp,gas | 134.61 | J/mol×K | 445.68 | Joback Calculated Property |
| Cp,gas | 138.86 | J/mol×K | 477.62 | Joback Calculated Property |
| Cp,gas | 142.88 | J/mol×K | 509.56 | Joback Calculated Property |
| Cp,gas | 146.69 | J/mol×K | 541.50 | Joback Calculated Property |
| Cp,gas | 150.27 | J/mol×K | 573.44 | Joback Calculated Property |
| Cp,gas | 153.63 | J/mol×K | 605.38 | Joback Calculated Property |
| ΔvapH | 24.80 | kJ/mol | 220.00 | NIST |
Similar Compounds
Find more compounds similar to Trifluoromethyl peroxynitrate.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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