- InChI
- InChI=1S/C8H9FO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3
- InChI Key
- UWWCZZMOTBWUAB-UHFFFAOYSA-N
- Formula
- C8H9FO
- SMILES
- CCOc1cccc(F)c1
- Molecular Weight1
- 140.15
- CAS
- 458-03-7
- Other Names
-
- Phenetole, m-fluoro-
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (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).
- 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 |
|---|---|---|---|
| ω | 0.3916 | Relay (... Calculated Property | |
| ΔcH°liquid | -4269.40 | kJ/mol | NIST |
| ΔfG° | -180.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -339.60 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.56 | kJ/mol | Relay (... Calculated Property |
| IE | 8.65 | eV | Relay (... Calculated Property |
| log10WS | -2.31 | Relay (... Calculated Property | |
| logPoct/wat | 2.224 | Crippen Calculated Property | |
| McVol | 107.460 | ml/mol | McGowan Calculated Property |
| Pc | 3333.53 | kPa | Joback Calculated Property |
| Tboil | 436.09 | K | Relay (... Calculated Property |
| Tc | 637.00 | K | Relay (... Calculated Property |
| Tfus | 236.53 | K | Relay (... Calculated Property |
| Vc | 0.401 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.33; 267.69] | J/mol×K | [435.79; 634.28] | 
|
| Cp,gas | 207.33 | J/mol×K | 435.79 | Joback Calculated Property |
| Cp,gas | 218.63 | J/mol×K | 468.87 | Joback Calculated Property |
| Cp,gas | 229.42 | J/mol×K | 501.95 | Joback Calculated Property |
| Cp,gas | 239.72 | J/mol×K | 535.04 | Joback Calculated Property |
| Cp,gas | 249.52 | J/mol×K | 568.12 | Joback Calculated Property |
| Cp,gas | 258.84 | J/mol×K | 601.20 | Joback Calculated Property |
| Cp,gas | 267.69 | J/mol×K | 634.28 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 338.40 | K | 2.00 | NIST |
Similar Compounds
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)
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