- InChI
- InChI=1S/C7H7FO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
- InChI Key
- JIXDOBAQOWOUPA-UHFFFAOYSA-N
- Formula
- C7H7FO
- SMILES
- COc1ccccc1F
- Molecular Weight1
- 126.13
- CAS
- 321-28-8
- Other Names
-
- 1-Fluoro-2-methoxybenzene
- 2-fluoroanisole
- 2-fluoromethoxybenzene
- anisole, o-fluoro-
- o-fluoroanisole
- 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).
- 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).
- 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 | 808.00 | kJ/mol | NIST |
| BasG | 778.00 | 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° | 52.10 ± 1.10 | kJ/mol | 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 | [919.70; 934.00] |
|
|
| Inp | 934.00 | NIST | |
| Inp | 919.70 | NIST | |
| Inp | 934.00 | NIST | |
| Tboil | [427.50; 427.70] | K |
|
| Tboil | 427.50 ± 0.50 | K | NIST |
| Tboil | 427.70 | K | NIST |
| 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 | 52.20 | kJ/mol | 298.15 | Experim... |
Similar Compounds
Find more compounds similar to Benzene, 1-fluoro-2-methoxy-.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Diffusion coefficients of 2-fluoroanisole, 2-bromoanisole, allylbenzene and 1,3-divinylbenzene at infinite dilution in supercritical carbon dioxide
- Experimental and computational study on the molecular energetics of the three monofluoroanisole isomers
- Joback Method
- McGowan Method
- NIST Webbook
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