- InChI
- InChI=1S/C9H9FO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
- InChI Key
- RPMOHVRRKYJFSB-UHFFFAOYSA-N
- Formula
- C9H9FO
- SMILES
- CCC(=O)c1cccc(F)c1
- Molecular Weight1
- 152.17
- CAS
- 455-67-4
- 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° | -196.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -312.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.50 | kJ/mol | Joback Calculated Property |
| log10WS | -2.88 | Crippen Calculated Property | |
| logPoct/wat | 2.418 | Crippen Calculated Property | |
| McVol | 117.250 | ml/mol | McGowan Calculated Property |
| Pc | 3272.78 | kPa | Joback Calculated Property |
| Tboil | 490.12 | K | Joback Calculated Property |
| Tc | 698.29 | K | Joback Calculated Property |
| Tfus | 280.65 | K | Joback Calculated Property |
| Vc | 0.456 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.93; 303.46] | J/mol×K | [490.12; 698.29] | 
|
| Cp,gas | 241.93 | J/mol×K | 490.12 | Joback Calculated Property |
| Cp,gas | 253.80 | J/mol×K | 524.82 | Joback Calculated Property |
| Cp,gas | 264.99 | J/mol×K | 559.51 | Joback Calculated Property |
| Cp,gas | 275.53 | J/mol×K | 594.21 | Joback Calculated Property |
| Cp,gas | 285.44 | J/mol×K | 628.90 | Joback Calculated Property |
| Cp,gas | 294.74 | J/mol×K | 663.60 | Joback Calculated Property |
| Cp,gas | 303.46 | J/mol×K | 698.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoropropiophenone.
Sources
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