- InChI
- InChI=1S/C7H7FO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
- InChI Key
- GKQDDKKGDIVDAG-UHFFFAOYSA-N
- Formula
- C7H7FO
- SMILES
- Cc1cc(F)ccc1O
- Molecular Weight1
- 126.13
- CAS
- 452-72-2
- 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).
- 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° | -238.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -336.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.31 | kJ/mol | Joback Calculated Property |
| log10WS | -1.83 | Crippen Calculated Property | |
| logPoct/wat | 1.840 | Crippen Calculated Property | |
| McVol | 93.370 | ml/mol | McGowan Calculated Property |
| Pc | 4627.70 | kPa | Joback Calculated Property |
| Tboil | 471.11 | K | Joback Calculated Property |
| Tc | 689.77 | K | Joback Calculated Property |
| Tfus | 319.90 | K | Joback Calculated Property |
| Vc | 0.303 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.66; 241.54] | J/mol×K | [471.11; 689.77] | 
|
| Cp,gas | 192.66 | J/mol×K | 471.11 | Joback Calculated Property |
| Cp,gas | 202.40 | J/mol×K | 507.55 | Joback Calculated Property |
| Cp,gas | 211.43 | J/mol×K | 544.00 | Joback Calculated Property |
| Cp,gas | 219.79 | J/mol×K | 580.44 | Joback Calculated Property |
| Cp,gas | 227.56 | J/mol×K | 616.88 | Joback Calculated Property |
| Cp,gas | 234.79 | J/mol×K | 653.33 | Joback Calculated Property |
| Cp,gas | 241.54 | J/mol×K | 689.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluoro-o-cresol.
Sources
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