- InChI
- InChI=1S/C7H7FO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
- InChI Key
- MFJNOXOAIFNSBX-UHFFFAOYSA-N
- Formula
- C7H7FO
- SMILES
- COc1cccc(F)c1
- Molecular Weight1
- 126.13
- CAS
- 456-49-5
- Other Names
-
- 3-fluoroanisole
- 3-fluoromethoxybenzene
- Benzene, 1-fluoro-3-methoxy-
- anisole, m-fluoro-
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- 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 | 825.00 | kJ/mol | NIST |
| BasG | 795.00 | kJ/mol | NIST |
| ΔfG° | -188.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.10 ± 1.10 | kJ/mol | NIST |
| IE | [8.41; 8.70] | eV |
|
| IE | 8.41 ± 0.06 | eV | NIST |
| IE | 8.70 ± 0.10 | eV | NIST |
| log10WS | -1.92 | Crippen Calculated Property | |
| logPoct/wat | 1.834 | Crippen Calculated Property | |
| McVol | 93.370 | ml/mol | McGowan Calculated Property |
| Pc | 3736.23 | kPa | Joback Calculated Property |
| Inp | [908.50; 925.00] |
|
|
| Inp | 925.00 | NIST | |
| Inp | 908.50 | NIST | |
| Inp | 908.50 | NIST | |
| Tboil | 412.91 | K | Joback Calculated Property |
| Tc | 613.45 | K | Joback Calculated Property |
| Tfus | 230.41 | K | Joback Calculated Property |
| Vc | 0.355 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [169.33; 222.53] | J/mol×K | [412.91; 613.45] |
|
| Cp,gas | 169.33 | J/mol×K | 412.91 | Joback Calculated Property |
| Cp,gas | 179.27 | J/mol×K | 446.33 | Joback Calculated Property |
| Cp,gas | 188.77 | J/mol×K | 479.76 | Joback Calculated Property |
| Cp,gas | 197.84 | J/mol×K | 513.18 | Joback Calculated Property |
| Cp,gas | 206.49 | J/mol×K | 546.61 | Joback Calculated Property |
| Cp,gas | 214.72 | J/mol×K | 580.03 | Joback Calculated Property |
| Cp,gas | 222.53 | J/mol×K | 613.45 | Joback Calculated Property |
| ΔvapH | 48.10 | kJ/mol | 298.15 | Experim... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [431.00; 431.20] | K | [99.10; 99.10] |
|
| Tboilr | 431.00 | K | 99.10 | NIST |
| Tboilr | 431.20 | K | 99.10 | NIST |
Similar Compounds
Find more compounds similar to m-Fluoroanisole.
Sources
- Crippen Method
- Crippen Method
- Experimental and computational study on the molecular energetics of the three monofluoroanisole isomers
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.