- InChI
- InChI=1S/C7H3Cl2F3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
- InChI Key
- DYBYUWVMLBBEMA-UHFFFAOYSA-N
- Formula
- C7H3Cl2F3
- SMILES
- FC(F)(F)c1cc(Cl)ccc1Cl
- Molecular Weight1
- 215.00
- CAS
- 320-50-3
- Other Names
-
- Benzene, 1,4-dichloro-2-(trifluoromethyl)-
- 2,5-Dichloro-«alpha»,«alpha»,«alpha»-trifluorotoluene
- 1,4-dichloro-2-(trifluoromethyl)benzene
- 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).
- Inp : Non-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 | 0.3739 | Relay (1.0) Calculated Property | |
| ΔfG° | -504.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -636.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.012 | Crippen Calculated Property | |
| McVol | 115.520 | ml/mol | McGowan Calculated Property |
| Pc | 3159.72 | kPa | Joback Calculated Property |
| Inp | [1007.00; 1007.00] |
|
|
| Inp | 1007.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Tboil | 445.23 | K | Relay (1.0) Calculated Property |
| Tc | 652.19 | K | Relay (1.0) Calculated Property |
| Tfus | 273.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.417 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.20; 258.84] | J/mol×K | [465.64; 673.39] |
|
| Cp,gas | 215.20 | J/mol×K | 465.64 | Joback Calculated Property |
| Cp,gas | 224.05 | J/mol×K | 500.26 | Joback Calculated Property |
| Cp,gas | 232.21 | J/mol×K | 534.89 | Joback Calculated Property |
| Cp,gas | 239.74 | J/mol×K | 569.51 | Joback Calculated Property |
| Cp,gas | 246.66 | J/mol×K | 604.14 | Joback Calculated Property |
| Cp,gas | 253.01 | J/mol×K | 638.76 | Joback Calculated Property |
| Cp,gas | 258.84 | J/mol×K | 673.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dichlorobenzotrifluoride.
Sources
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