- InChI
- InChI=1S/C3HF4N/c4-2(5)3(6,7)1-8/h2H
- InChI Key
- PIORIRQBACOORT-UHFFFAOYSA-N
- Formula
- C3HF4N
- SMILES
- N#CC(F)(F)C(F)F
- Molecular Weight1
- 127.04
- CAS
- 431-32-3
- 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).
- 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° | -671.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -738.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 27.80 | kJ/mol | Joback Calculated Property |
| log10WS | -1.57 | Crippen Calculated Property | |
| logPoct/wat | 1.410 | Crippen Calculated Property | |
| McVol | 61.590 | ml/mol | McGowan Calculated Property |
| Pc | 3526.27 | kPa | Joback Calculated Property |
| Tboil | 314.00 ± 1.00 | K | NIST |
| Tc | 532.03 | K | Joback Calculated Property |
| Tfus | 178.34 | K | Joback Calculated Property |
| Vc | 0.284 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [120.95; 147.59] | J/mol×K | [363.53; 532.03] | 
|
| Cp,gas | 120.95 | J/mol×K | 363.53 | Joback Calculated Property |
| Cp,gas | 126.20 | J/mol×K | 391.61 | Joback Calculated Property |
| Cp,gas | 131.10 | J/mol×K | 419.70 | Joback Calculated Property |
| Cp,gas | 135.68 | J/mol×K | 447.78 | Joback Calculated Property |
| Cp,gas | 139.94 | J/mol×K | 475.86 | Joback Calculated Property |
| Cp,gas | 143.91 | J/mol×K | 503.95 | Joback Calculated Property |
| Cp,gas | 147.59 | J/mol×K | 532.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,3,3-Tetrafluoropropionitrile.
Sources
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