- 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
- ω : Acentric Factor.
- 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).
- 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 | 0.4769 | Relay (1.0) Calculated Property | |
| ΔfG° | -238.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -347.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.08 | Relay (1.0) 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 | 452.69 | K | Relay (1.0) Calculated Property |
| Tc | 680.62 | K | Relay (1.0) Calculated Property |
| Tfus | 309.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.319 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [124.36; 288.39] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.59100e+01 | |||
| Coefficient B | 6.96820e-01 | |||
| Coefficient C | -5.93920e-04 | |||
| Coefficient D | 2.11400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 124.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 155.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 182.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 204.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 223.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 239.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 253.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 265.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 276.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 288.39 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluoro-o-cresol.
Sources
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