- 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
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -86.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -223.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.07 | kJ/mol | Joback Calculated Property |
| log10WS | -3.23 | Crippen 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 | 646.28 | K | Joback Calculated Property |
| Tfus | 255.76 | K | Joback Calculated Property |
| Vc | 0.450 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.90; 289.81] | J/mol×K | [446.21; 646.28] | 
|
| Cp,gas | 225.90 | J/mol×K | 446.21 | Joback Calculated Property |
| Cp,gas | 237.83 | J/mol×K | 479.56 | Joback Calculated Property |
| Cp,gas | 249.24 | J/mol×K | 512.90 | Joback Calculated Property |
| Cp,gas | 260.13 | J/mol×K | 546.25 | Joback Calculated Property |
| Cp,gas | 270.51 | J/mol×K | 579.59 | Joback Calculated Property |
| Cp,gas | 280.40 | J/mol×K | 612.94 | Joback Calculated Property |
| Cp,gas | 289.81 | J/mol×K | 646.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-fluoro-1,3,5-trimethyl-.
Sources
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