- InChI
- InChI=1S/C7H7FO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
- InChI Key
- VIPWUFMFHBIKQI-UHFFFAOYSA-N
- Formula
- C7H7FO
- SMILES
- COc1ccc(F)cc1
- Molecular Weight1
- 126.13
- CAS
- 459-60-9
- Other Names
-
- 1-fluoro-4-methoxybenzene
- 4-fluoroanisole
- 4-fluoromethoxybenzene
- anisole, p-fluoro-
- p-Fluoromethoxybenzene
- p-Fluorophenyl methyl ether
- p-Methoxyfluorobenzene
- p-fluoroanisol
- p-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).
- 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.
- I : 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 | 795.00 | kJ/mol | NIST |
| BasG | 767.00 | 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° | 48.70 ± 1.20 | kJ/mol | NIST |
| IE | [8.26; 8.60] | eV |
|
| IE | 8.26 ± 0.03 | eV | NIST |
| IE | 8.60 ± 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 | [910.60; 925.00] |
|
|
| Inp | 916.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 910.60 | NIST | |
| I | 1367.00 | NIST | |
| Tboil | [430.00; 430.20] | K |
|
| Tboil | 430.00 | K | NIST |
| Tboil | 430.20 | 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 | 48.70 | kJ/mol | 298.15 | Experim... |
Similar Compounds
Find more compounds similar to Benzene, 1-fluoro-4-methoxy-.
Sources
- Crippen Method
- Crippen Method
- Experimental and computational study on the molecular energetics of the three monofluoroanisole isomers
- Joback Method
- McGowan Method
- NIST Webbook
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