- InChI
- InChI=1S/C9H8FNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3
- InChI Key
- OFCMGCZEFVKTAN-UHFFFAOYSA-N
- Formula
- C9H8FNO
- SMILES
- COc1ccc(CC#N)cc1F
- Molecular Weight1
- 165.16
- CAS
- 404-90-0
- 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° | -48.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.30 | kJ/mol | Joback Calculated Property |
| log10WS | -2.59 | Crippen Calculated Property | |
| logPoct/wat | 1.900 | Crippen Calculated Property | |
| McVol | 122.930 | ml/mol | McGowan Calculated Property |
| Pc | 2865.80 | kPa | Joback Calculated Property |
| Tboil | 565.73 | K | Joback Calculated Property |
| Tc | 781.30 | K | Joback Calculated Property |
| Tfus | 330.46 | K | Joback Calculated Property |
| Vc | 0.493 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.89; 326.08] | J/mol×K | [565.73; 781.30] | 
|
| Cp,gas | 272.89 | J/mol×K | 565.73 | Joback Calculated Property |
| Cp,gas | 283.08 | J/mol×K | 601.66 | Joback Calculated Property |
| Cp,gas | 292.74 | J/mol×K | 637.59 | Joback Calculated Property |
| Cp,gas | 301.86 | J/mol×K | 673.52 | Joback Calculated Property |
| Cp,gas | 310.46 | J/mol×K | 709.44 | Joback Calculated Property |
| Cp,gas | 318.53 | J/mol×K | 745.37 | Joback Calculated Property |
| Cp,gas | 326.08 | J/mol×K | 781.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-4-methoxyphenylacetonitrile.
Sources
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