- InChI
- InChI=1S/C4F3N/c5-4(6,7)2-1-3-8
- InChI Key
- YZNFAKUUGQFZOK-UHFFFAOYSA-N
- Formula
- C4F3N
- SMILES
- N#CC#CC(F)(F)F
- Molecular Weight1
- 119.04
- CAS
- 66051-48-7
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -262.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -285.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.38 | kJ/mol | Joback Calculated Property |
| IE | [12.00; 12.26] | eV |
|
| IE | 12.00 | eV | NIST |
| IE | 12.00 ± 0.02 | eV | NIST |
| IE | 12.26 | eV | NIST |
| log10WS | -1.82 | Crippen Calculated Property | |
| logPoct/wat | 1.076 | Crippen Calculated Property | |
| McVol | 65.310 | ml/mol | McGowan Calculated Property |
| Pc | 3990.60 | kPa | Joback Calculated Property |
| Tboil | 396.58 | K | Joback Calculated Property |
| Tc | 595.86 | K | Joback Calculated Property |
| Tfus | 310.12 | K | Joback Calculated Property |
| Vc | 0.290 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.71; 141.38] | J/mol×K | [396.58; 595.86] |
|
| Cp,gas | 118.71 | J/mol×K | 396.58 | Joback Calculated Property |
| Cp,gas | 123.33 | J/mol×K | 429.79 | Joback Calculated Property |
| Cp,gas | 127.58 | J/mol×K | 463.01 | Joback Calculated Property |
| Cp,gas | 131.49 | J/mol×K | 496.22 | Joback Calculated Property |
| Cp,gas | 135.08 | J/mol×K | 529.43 | Joback Calculated Property |
| Cp,gas | 138.37 | J/mol×K | 562.64 | Joback Calculated Property |
| Cp,gas | 141.38 | J/mol×K | 595.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butynenitrile, 4,4,4-trifluoro-.
Sources
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