- InChI
- InChI=1S/C6H2Cl3F7O2/c7-3(8,9)1-18-2(17)4(10,11)5(12,13)6(14,15)16/h1H2
- InChI Key
- BPRJWOQYSBUXBU-UHFFFAOYSA-N
- Formula
- C6H2Cl3F7O2
- SMILES
-
O=C(OCC(Cl)(Cl)Cl)C(F)(F)C(F)(
F)C(F)(F)F - Molecular Weight1
- 345.43
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -1622.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1866.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.36 | kJ/mol | Joback Calculated Property |
| log10WS | -4.05 | Crippen Calculated Property | |
| logPoct/wat | 3.733 | Crippen Calculated Property | |
| McVol | 151.950 | ml/mol | McGowan Calculated Property |
| Pc | 2271.90 | kPa | Joback Calculated Property |
| Inp | 902.00 | NIST | |
| Tboil | 507.23 | K | Joback Calculated Property |
| Tc | 683.24 | K | Joback Calculated Property |
| Tfus | 333.11 | K | Joback Calculated Property |
| Vc | 0.625 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.11; 385.64] | J/mol×K | [507.23; 683.24] | 
|
| Cp,gas | 345.11 | J/mol×K | 507.23 | Joback Calculated Property |
| Cp,gas | 353.72 | J/mol×K | 536.57 | Joback Calculated Property |
| Cp,gas | 361.52 | J/mol×K | 565.90 | Joback Calculated Property |
| Cp,gas | 368.55 | J/mol×K | 595.24 | Joback Calculated Property |
| Cp,gas | 374.89 | J/mol×K | 624.57 | Joback Calculated Property |
| Cp,gas | 380.56 | J/mol×K | 653.91 | Joback Calculated Property |
| Cp,gas | 385.64 | J/mol×K | 683.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloroethanol, heptafluorobutyrate.
Sources
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