- InChI
- InChI=1S/C7H3FN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H
- InChI Key
- YLACBMHBZVYOAP-UHFFFAOYSA-N
- Formula
- C7H3FN2O2
- SMILES
- N#Cc1cc([N+](=O)[O-])ccc1F
- Molecular Weight1
- 166.11
- CAS
- 17417-09-3
- 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° | 75.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -16.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.03 | kJ/mol | Joback Calculated Property |
| log10WS | -2.81 | Crippen Calculated Property | |
| logPoct/wat | 1.606 | Crippen Calculated Property | |
| McVol | 106.300 | ml/mol | McGowan Calculated Property |
| Pc | 3686.49 | kPa | Joback Calculated Property |
| Tboil | 649.39 | K | Joback Calculated Property |
| Tc | 901.51 | K | Joback Calculated Property |
| Tfus | 429.30 | K | Joback Calculated Property |
| Vc | 0.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.70; 276.39] | J/mol×K | [649.39; 901.51] | 
|
| Cp,gas | 239.70 | J/mol×K | 649.39 | Joback Calculated Property |
| Cp,gas | 247.29 | J/mol×K | 691.41 | Joback Calculated Property |
| Cp,gas | 254.26 | J/mol×K | 733.43 | Joback Calculated Property |
| Cp,gas | 260.62 | J/mol×K | 775.45 | Joback Calculated Property |
| Cp,gas | 266.41 | J/mol×K | 817.47 | Joback Calculated Property |
| Cp,gas | 271.66 | J/mol×K | 859.49 | Joback Calculated Property |
| Cp,gas | 276.39 | J/mol×K | 901.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluoro-5-nitrobenzonitrile.
Sources
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