- InChI
- InChI=1S/C8H6FNO/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,1H3
- InChI Key
- YPMSIWYNTPSPMV-UHFFFAOYSA-N
- Formula
- C8H6FNO
- SMILES
- COc1cccc(F)c1C#N
- Molecular Weight1
- 151.14
- CAS
- 94088-46-7
- Other Names
-
- 2-fluoro-6-methoxybenzonitrile
- 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° | -57.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.07 | kJ/mol | Joback Calculated Property |
| log10WS | -2.28 | Crippen Calculated Property | |
| logPoct/wat | 1.706 | Crippen Calculated Property | |
| McVol | 108.840 | ml/mol | McGowan Calculated Property |
| Pc | 3184.73 | kPa | Joback Calculated Property |
| Tboil | 542.85 | K | Joback Calculated Property |
| Tc | 762.20 | K | Joback Calculated Property |
| Tfus | 319.19 | K | Joback Calculated Property |
| Vc | 0.438 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.58; 276.96] | J/mol×K | [542.85; 762.20] | 
|
| Cp,gas | 229.58 | J/mol×K | 542.85 | Joback Calculated Property |
| Cp,gas | 238.65 | J/mol×K | 579.41 | Joback Calculated Property |
| Cp,gas | 247.24 | J/mol×K | 615.97 | Joback Calculated Property |
| Cp,gas | 255.37 | J/mol×K | 652.52 | Joback Calculated Property |
| Cp,gas | 263.04 | J/mol×K | 689.08 | Joback Calculated Property |
| Cp,gas | 270.23 | J/mol×K | 725.64 | Joback Calculated Property |
| Cp,gas | 276.96 | J/mol×K | 762.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzonitrile, 2-fluoro-6-methoxy-.
Sources
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