- InChI
- InChI=1S/C7H4F4/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3
- InChI Key
- POMGTQLCZJZYAM-UHFFFAOYSA-N
- Formula
- C7H4F4
- SMILES
- Cc1c(F)c(F)cc(F)c1F
- Molecular Weight1
- 164.10
- CAS
- 5230-78-4
- Other Names
-
- Benzene, 1,2,4,5-tetrafluoro-3-methyl-
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 |
|---|---|---|---|
| ΔfG° | -697.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -781.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.83 | kJ/mol | Joback Calculated Property |
| IE | 9.16 ± 0.02 | eV | NIST |
| log10WS | -3.27 | Crippen Calculated Property | |
| logPoct/wat | 2.551 | Crippen Calculated Property | |
| McVol | 92.810 | ml/mol | McGowan Calculated Property |
| Pc | 3089.85 | kPa | Joback Calculated Property |
| Tboil | 398.70 | K | NIST |
| Tc | 577.49 | K | Joback Calculated Property |
| Tfus | 247.51 | K | Joback Calculated Property |
| Vc | 0.392 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.27; 216.69] | J/mol×K | [403.24; 577.49] | 
|
| Cp,gas | 176.27 | J/mol×K | 403.24 | Joback Calculated Property |
| Cp,gas | 183.67 | J/mol×K | 432.28 | Joback Calculated Property |
| Cp,gas | 190.80 | J/mol×K | 461.32 | Joback Calculated Property |
| Cp,gas | 197.66 | J/mol×K | 490.36 | Joback Calculated Property |
| Cp,gas | 204.26 | J/mol×K | 519.41 | Joback Calculated Property |
| Cp,gas | 210.60 | J/mol×K | 548.45 | Joback Calculated Property |
| Cp,gas | 216.69 | J/mol×K | 577.49 | Joback Calculated Property |
| ΔfusH | 5.84 | kJ/mol | 233.00 | NIST |
Similar Compounds
Find more compounds similar to 2,3,5,6-Tetrafluorotoluene.
Sources
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