- InChI
- InChI=1S/C8H5F2N/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1H2
- InChI Key
- OBMYMTSBABEPIB-UHFFFAOYSA-N
- Formula
- C8H5F2N
- SMILES
- N#CCc1cc(F)cc(F)c1
- Molecular Weight1
- 153.13
- CAS
- 122376-76-5
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.4798 | Relay (1.0) Calculated Property | |
| ΔfG° | -146.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -169.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.031 | Crippen Calculated Property | |
| McVol | 104.740 | ml/mol | McGowan Calculated Property |
| Pc | 3086.42 | kPa | Joback Calculated Property |
| Tboil | 471.05 | K | Relay (1.0) Calculated Property |
| Tc | 709.85 | K | Relay (1.0) Calculated Property |
| Tfus | 288.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.388 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.22; 262.04] | J/mol×K | [519.70; 730.29] | 
|
| Cp,gas | 217.22 | J/mol×K | 519.70 | Joback Calculated Property |
| Cp,gas | 225.89 | J/mol×K | 554.80 | Joback Calculated Property |
| Cp,gas | 234.05 | J/mol×K | 589.90 | Joback Calculated Property |
| Cp,gas | 241.73 | J/mol×K | 624.99 | Joback Calculated Property |
| Cp,gas | 248.94 | J/mol×K | 660.09 | Joback Calculated Property |
| Cp,gas | 255.71 | J/mol×K | 695.19 | Joback Calculated Property |
| Cp,gas | 262.04 | J/mol×K | 730.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Difluorophenylacetonitrile.
Sources
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