- 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 |
|---|---|---|---|---|
| ΔvapH | 24.80 | kJ/mol | 220.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [107.81; 176.83] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.22700e+01 | |||
| Coefficient B | 2.32960e-01 | |||
| Coefficient C | -1.08000e-04 | |||
| Coefficient D | -4.00000e-10 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 107.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 121.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 133.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 143.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 152.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 160.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 166.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 171.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 174.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 176.83 | J/mol×K | 1000.00 | Calculated Property |
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
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