- InChI
- InChI=1S/C8H7FO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
- InChI Key
- HCEKGPAHZCYRBZ-UHFFFAOYSA-N
- Formula
- C8H7FO
- SMILES
- CC(=O)c1cccc(F)c1
- Molecular Weight1
- 138.14
- CAS
- 455-36-7
- Other Names
-
- Acetophenone, 3'-fluoro-
- m-Fluoroacetophenone
- 3-Fluoroacetophenone
- 3'-Fluoroacetophenone
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 845.70 | kJ/mol | NIST |
| BasG | 813.80 | kJ/mol | NIST |
| EA | 0.58 ± 0.03 | eV | NIST |
| ΔfG° | -204.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -292.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.27 | kJ/mol | Joback Calculated Property |
| IE | 9.80 ± 0.10 | eV | NIST |
| log10WS | -2.46 | Crippen Calculated Property | |
| logPoct/wat | 2.028 | Crippen Calculated Property | |
| McVol | 103.160 | ml/mol | McGowan Calculated Property |
| Pc | 3664.21 | kPa | Joback Calculated Property |
| Tboil | 467.24 | K | Joback Calculated Property |
| Tc | 678.42 | K | Joback Calculated Property |
| Tfus | 269.38 | K | Joback Calculated Property |
| Vc | 0.400 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [200.90; 256.32] | J/mol×K | [467.24; 678.42] | 
|
| Cp,gas | 200.90 | J/mol×K | 467.24 | Joback Calculated Property |
| Cp,gas | 211.62 | J/mol×K | 502.44 | Joback Calculated Property |
| Cp,gas | 221.72 | J/mol×K | 537.63 | Joback Calculated Property |
| Cp,gas | 231.22 | J/mol×K | 572.83 | Joback Calculated Property |
| Cp,gas | 240.13 | J/mol×K | 608.03 | Joback Calculated Property |
| Cp,gas | 248.49 | J/mol×K | 643.23 | Joback Calculated Property |
| Cp,gas | 256.32 | J/mol×K | 678.42 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 354.20 | K | 1.00 | NIST |
Similar Compounds
Find more compounds similar to Ethanone, 1-(3-fluorophenyl)-.
Sources
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