- InChI
- InChI=1S/CF3/c2-1(3)4
- InChI Key
- WZKSXHQDXQKIQJ-UHFFFAOYSA-N
- Formula
- CF3
- SMILES
- F[C](F)F
- Molecular Weight1
- 69.01
- CAS
- 2264-21-3
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 | 0.1659 | Relay (1.0) Calculated Property | |
| EA | [1.80; 3.25] | eV |
|
| EA | 1.82 ± 0.05 | eV | NIST |
| EA | 1.90 ± 0.30 | eV | NIST |
| EA | 2.82 ± 0.01 | eV | NIST |
| EA | 1.87 | eV | NIST |
| EA | 1.80 ± 0.20 | eV | NIST |
| EA | 2.00 | eV | NIST |
| EA | 2.80 ± 0.20 | eV | NIST |
| EA | 2.20 | eV | NIST |
| EA | 2.20 ± 0.30 | eV | NIST |
| EA | 2.40 ± 0.50 | eV | NIST |
| EA | 2.05 ± 0.20 | eV | NIST |
| EA | 3.15 ± 0.20 | eV | NIST |
| EA | 2.50 | eV | NIST |
| EA | 2.70 ± 0.20 | eV | NIST |
| EA | 2.10 ± 0.30 | eV | NIST |
| EA | 2.60 | eV | NIST |
| EA | Outlier 3.25 | eV | NIST |
| EA | 1.97 ± 0.23 | eV | NIST |
| ΔfG° | -558.67 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -429.00 ± 13.00 | kJ/mol | NIST |
| IE | [8.50; 10.60] | eV |
|
| IE | 8.76 | eV | NIST |
| IE | Outlier 10.60 | eV | NIST |
| IE | 8.50 ± 0.80 | eV | NIST |
| IE | 8.60 ± 0.07 | eV | NIST |
| IE | 9.30 ± 0.20 | eV | NIST |
| IE | 8.90 | eV | NIST |
| IE | 9.14 | eV | NIST |
| IE | 9.17 | eV | NIST |
| IE | 9.50 | eV | NIST |
| IE | 9.11 | eV | NIST |
| IE | 9.80 ± 0.20 | eV | NIST |
| IE | 9.25 ± 0.04 | eV | NIST |
| IE | 9.80 ± 0.20 | eV | NIST |
| logPoct/wat | 1.342 | Crippen Calculated Property | |
| McVol | 28.110 | ml/mol | McGowan Calculated Property |
| Pc | 4478.52 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 151.39 | K | Relay (1.0) Calculated Property |
| Tc | 244.11 | K | Relay (1.0) Calculated Property |
| Tfus | 65.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.117 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [49.78; 76.39] | J/mol×K | [298.00; 1000.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.43932e+01 | |||
| Coefficient B | 1.56582e+02 | |||
| Coefficient C | -1.40562e+02 | |||
| Coefficient D | 4.59763e+01 | |||
| Coefficient E | -6.16000e-04 | |||
| Reference | Chase, 1998 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 49.78 | J/mol×K | 298.00 | Calculated Property |
| Cp,gas | 55.84 | J/mol×K | 376.00 | Calculated Property |
| Cp,gas | 60.81 | J/mol×K | 454.00 | Calculated Property |
| Cp,gas | 64.83 | J/mol×K | 532.00 | Calculated Property |
| Cp,gas | 68.04 | J/mol×K | 610.00 | Calculated Property |
| Cp,gas | 70.56 | J/mol×K | 688.00 | Calculated Property |
| Cp,gas | 72.52 | J/mol×K | 766.00 | Calculated Property |
| Cp,gas | 74.06 | J/mol×K | 844.00 | Calculated Property |
| Cp,gas | 75.31 | J/mol×K | 922.00 | Calculated Property |
| Cp,gas | 76.39 | J/mol×K | 1000.00 | Calculated Property |
| Cp,gas | [76.34; 82.95] | J/mol×K | [1000.00; 6000.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 8.17788e+01 | |||
| Coefficient B | 7.88132e-01 | |||
| Coefficient C | -1.63525e-01 | |||
| Coefficient D | 1.15450e-02 | |||
| Coefficient E | -6.07634e+00 | |||
| Reference | Chase, 1998 | |||
| Temperature range, min. | 1000.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 76.34 | J/mol×K | 1000.00 | Calculated Property |
| Cp,gas | 80.14 | J/mol×K | 1555.56 | Calculated Property |
| Cp,gas | 81.46 | J/mol×K | 2111.11 | Calculated Property |
| Cp,gas | 82.08 | J/mol×K | 2666.67 | Calculated Property |
| Cp,gas | 82.42 | J/mol×K | 3222.22 | Calculated Property |
| Cp,gas | 82.62 | J/mol×K | 3777.78 | Calculated Property |
| Cp,gas | 82.74 | J/mol×K | 4333.33 | Calculated Property |
| Cp,gas | 82.82 | J/mol×K | 4888.89 | Calculated Property |
| Cp,gas | 82.88 | J/mol×K | 5444.44 | Calculated Property |
| Cp,gas | 82.95 | J/mol×K | 6000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Trifluoromethyl radical.
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
- McGowan Method
- NIST Webbook
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