- InChI
- InChI=1S/C9H9FO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3
- InChI Key
- LQASUDVYVOFKNK-UHFFFAOYSA-N
- Formula
- C9H9FO2
- SMILES
- COc1ccc(C(C)=O)cc1F
- Molecular Weight1
- 168.16
- CAS
- 455-91-4
- Other Names
-
- 3'-Fluoro-4'-methoxyacetophenone
- 3-Fluoro-4-methoxyacetophenone
- Ethanone, 1-(3-fluoro-4-methoxyphenyl)-
- 1-(3-fluoro-4-methoxyphenyl)ethan-1-one
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -310.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -456.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.57 | kJ/mol | Joback Calculated Property |
| log10WS | -2.58 | Crippen Calculated Property | |
| logPoct/wat | 2.037 | Crippen Calculated Property | |
| McVol | 123.120 | ml/mol | McGowan Calculated Property |
| Pc | 3156.17 | kPa | Joback Calculated Property |
| Tboil | 517.52 | K | Joback Calculated Property |
| Tc | 724.99 | K | Joback Calculated Property |
| Tfus | 315.40 | K | Joback Calculated Property |
| Vc | 0.473 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [264.31; 323.85] | J/mol×K | [517.52; 724.99] | 
|
| Cp,gas | 264.31 | J/mol×K | 517.52 | Joback Calculated Property |
| Cp,gas | 275.58 | J/mol×K | 552.10 | Joback Calculated Property |
| Cp,gas | 286.31 | J/mol×K | 586.68 | Joback Calculated Property |
| Cp,gas | 296.50 | J/mol×K | 621.26 | Joback Calculated Property |
| Cp,gas | 306.15 | J/mol×K | 655.83 | Joback Calculated Property |
| Cp,gas | 315.26 | J/mol×K | 690.41 | Joback Calculated Property |
| Cp,gas | 323.85 | J/mol×K | 724.99 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 420.70 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to Acetophenone, 3'-fluoro-4'-methoxy-.
Sources
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