- InChI
- InChI=1S/C9H11F/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
- InChI Key
- ZLGPNBBJPOBSLY-UHFFFAOYSA-N
- Formula
- C9H11F
- SMILES
- Cc1cc(C)c(F)c(C)c1
- Molecular Weight1
- 138.18
- CAS
- 392-69-8
- Other Names
-
- 1-Fluoro-2,4,6-trimethylbenzene
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3726 | Relay (1.0) Calculated Property | |
| ΔfG° | -86.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -226.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.751 | Crippen Calculated Property | |
| McVol | 115.680 | ml/mol | McGowan Calculated Property |
| Pc | 2950.48 | kPa | Joback Calculated Property |
| I | 2134.00 | NIST | |
| Tboil | 444.70 | K | NIST |
| Tc | 649.91 | K | Relay (1.0) Calculated Property |
| Tfus | 260.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.435 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.00; 363.07] | 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 | 9.79000e+00 | |||
| Coefficient B | 6.13260e-01 | |||
| Coefficient C | -3.12280e-04 | |||
| Coefficient D | 5.23000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 155.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 189.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 221.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 250.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 275.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 298.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 317.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 335.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 350.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 363.07 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-fluoro-1,3,5-trimethyl-.
Sources
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