- InChI
- InChI=1S/C9H5Cl2F3O2/c10-6-1-2-7(11)5(3-6)4-16-8(15)9(12,13)14/h1-3H,4H2
- InChI Key
- QKQFFEOTFAMLHN-UHFFFAOYSA-N
- Formula
- C9H5Cl2F3O2
- SMILES
- O=C(OCc1cc(Cl)ccc1Cl)C(F)(F)F
- Molecular Weight1
- 273.04
- 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° | -721.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -888.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.41 | kJ/mol | Joback Calculated Property |
| log10WS | -4.08 | Crippen Calculated Property | |
| logPoct/wat | 3.599 | Crippen Calculated Property | |
| McVol | 151.140 | ml/mol | McGowan Calculated Property |
| Pc | 2698.60 | kPa | Joback Calculated Property |
| Inp | [1306.00; 1306.00] |
|
|
| Inp | 1306.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Tboil | 587.69 | K | Joback Calculated Property |
| Tc | 796.07 | K | Joback Calculated Property |
| Tfus | 378.84 | K | Joback Calculated Property |
| Vc | 0.597 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [331.64; 378.55] | J/mol×K | [587.69; 796.07] |
|
| Cp,gas | 331.64 | J/mol×K | 587.69 | Joback Calculated Property |
| Cp,gas | 341.06 | J/mol×K | 622.42 | Joback Calculated Property |
| Cp,gas | 349.80 | J/mol×K | 657.15 | Joback Calculated Property |
| Cp,gas | 357.89 | J/mol×K | 691.88 | Joback Calculated Property |
| Cp,gas | 365.36 | J/mol×K | 726.61 | Joback Calculated Property |
| Cp,gas | 372.24 | J/mol×K | 761.34 | Joback Calculated Property |
| Cp,gas | 378.55 | J/mol×K | 796.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dichlorobenzyl alcohol, trifluoroacetate.
Sources
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