- InChI
- InChI=1S/C9H9F/c1-7(2)8-4-3-5-9(10)6-8/h3-6H,1H2,2H3
- InChI Key
- RSKZYVKOUASPDU-UHFFFAOYSA-N
- Formula
- C9H9F
- SMILES
- C=C(C)c1cccc(F)c1
- Molecular Weight1
- 136.17
- CAS
- 3825-81-8
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 | 0.3395 | Relay (1.0) Calculated Property | |
| PAff | 839.70 | kJ/mol | NIST |
| BasG | 810.80 | kJ/mol | NIST |
| ΔfG° | 12.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -105.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.859 | Crippen Calculated Property | |
| McVol | 111.380 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Tboil | 431.37 | K | Relay (1.0) Calculated Property |
| Tc | 644.07 | K | Relay (1.0) Calculated Property |
| Tfus | 235.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.413 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.22; 272.55] | J/mol×K | [432.81; 638.60] | 
|
| Cp,gas | 208.22 | J/mol×K | 432.81 | Joback Calculated Property |
| Cp,gas | 220.62 | J/mol×K | 467.11 | Joback Calculated Property |
| Cp,gas | 232.31 | J/mol×K | 501.41 | Joback Calculated Property |
| Cp,gas | 243.32 | J/mol×K | 535.70 | Joback Calculated Property |
| Cp,gas | 253.67 | J/mol×K | 570.00 | Joback Calculated Property |
| Cp,gas | 263.41 | J/mol×K | 604.30 | Joback Calculated Property |
| Cp,gas | 272.55 | J/mol×K | 638.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-FC6H4C(CH3)=CH2.
Sources
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