- InChI
- InChI=1S/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
- InChI Key
- BNBRIFIJRKJGEI-UHFFFAOYSA-N
- Formula
- C7H3F2N
- SMILES
- N#Cc1c(F)cccc1F
- Molecular Weight1
- 139.10
- CAS
- 1897-52-5
- Other Names
-
- 2,6-Difluorobenzonitrile
- 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 | 0.3955 | Relay (1.0) Calculated Property | |
| ΔfG° | -155.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -133.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.836 | Crippen Calculated Property | |
| McVol | 90.650 | ml/mol | McGowan Calculated Property |
| Pc | 3443.98 | kPa | Joback Calculated Property |
| Tboil | 449.09 | K | Relay (1.0) Calculated Property |
| Tc | 672.82 | K | Relay (1.0) Calculated Property |
| Tfus | 358.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.335 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.98; 215.16] | J/mol×K | [496.82; 710.74] | 
|
| Cp,gas | 176.98 | J/mol×K | 496.82 | Joback Calculated Property |
| Cp,gas | 184.39 | J/mol×K | 532.47 | Joback Calculated Property |
| Cp,gas | 191.36 | J/mol×K | 568.13 | Joback Calculated Property |
| Cp,gas | 197.91 | J/mol×K | 603.78 | Joback Calculated Property |
| Cp,gas | 204.05 | J/mol×K | 639.43 | Joback Calculated Property |
| Cp,gas | 209.79 | J/mol×K | 675.08 | Joback Calculated Property |
| Cp,gas | 215.16 | J/mol×K | 710.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzonitrile, 2,6-difluoro-.
Sources
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