- InChI
- InChI=1S/C3H2FN/c4-2-1-3-5/h1-2H/b2-1+
- InChI Key
- DOERUWDOBMTXGO-OWOJBTEDSA-N
- Formula
- C3H2FN
- SMILES
- N#CC=CF
- Molecular Weight1
- 71.05
- CAS
- 430-49-9
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -3.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.70 ± 0.10 | eV | NIST |
| logPoct/wat | 0.993 | Crippen Calculated Property | |
| McVol | 51.980 | ml/mol | McGowan Calculated Property |
| Tboil | 364.95 | K | Relay (1.0) Calculated Property |
| Tfus | 225.94 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [64.70; 127.07] | 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 | 9.07000e+00 | |||
| Coefficient B | 2.55400e-01 | |||
| Coefficient C | -2.08600e-04 | |||
| Coefficient D | 7.12000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 64.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 76.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 86.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 95.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 102.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 108.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 113.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 118.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 122.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 127.07 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Fluoropropenenitrile.
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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