- InChI
- InChI=1S/C8H6FN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3
- InChI Key
- IBRODYNXELBTJC-UHFFFAOYSA-N
- Formula
- C8H6FN
- SMILES
- Cc1ccc(F)cc1C#N
- Molecular Weight1
- 135.14
- CAS
- 77532-79-7
- 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 | 0.4064 | Relay (1.0) Calculated Property | |
| ΔfG° | 48.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -18.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.006 | Crippen Calculated Property | |
| McVol | 102.970 | ml/mol | McGowan Calculated Property |
| Pc | 3246.73 | kPa | Joback Calculated Property |
| Tboil | 476.94 | K | Relay (1.0) Calculated Property |
| Tc | 713.71 | K | Relay (1.0) Calculated Property |
| Tfus | 316.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.375 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.84; 256.03] | J/mol×K | [520.43; 742.34] | 
|
| Cp,gas | 208.84 | J/mol×K | 520.43 | Joback Calculated Property |
| Cp,gas | 217.98 | J/mol×K | 557.41 | Joback Calculated Property |
| Cp,gas | 226.59 | J/mol×K | 594.40 | Joback Calculated Property |
| Cp,gas | 234.68 | J/mol×K | 631.38 | Joback Calculated Property |
| Cp,gas | 242.27 | J/mol×K | 668.37 | Joback Calculated Property |
| Cp,gas | 249.38 | J/mol×K | 705.35 | Joback Calculated Property |
| Cp,gas | 256.03 | J/mol×K | 742.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Fluoro-2-methylbenzonitrile.
Sources
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