- InChI
- InChI=1S/C8H7F/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
- InChI Key
- YNQXOOPPJWSXMW-UHFFFAOYSA-N
- Formula
- C8H7F
- SMILES
- C=Cc1ccccc1F
- Molecular Weight1
- 122.14
- CAS
- 394-46-7
- Other Names
-
- 2-Fluorostyrene
- o-Fluorostyrene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2784 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -58.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.469 | Crippen Calculated Property | |
| McVol | 97.290 | ml/mol | McGowan Calculated Property |
| Pc | 3572.80 | kPa | Joback Calculated Property |
| Tboil | 410.52 | K | Relay (1.0) Calculated Property |
| Tc | 625.66 | K | Relay (1.0) Calculated Property |
| Tfus | 209.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.355 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 302.70 | K | 0.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.88; 289.05] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.08900e+01 | |||
| Coefficient B | 6.17200e-01 | |||
| Coefficient C | -4.14860e-04 | |||
| Coefficient D | 1.07600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 118.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 150.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 177.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 201.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 222.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 240.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 255.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 268.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 279.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 289.05 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-ethenyl-2-fluoro-.
Sources
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