- InChI
- InChI=1S/C12H3F9O5/c13-10(14,15)7(22)5-3-4(25-8(23)11(16,17)18)1-2-6(5)26-9(24)12(19,20)21/h1-3H
- InChI Key
- AQMJOBXEVCXZSQ-UHFFFAOYSA-N
- Formula
- C12H3F9O5
- SMILES
-
O=C(Oc1ccc(OC(=O)C(F)(F)F)c(C(
=O)C(F)(F)F)c1)C(F)(F)F - Molecular Weight1
- 398.13
- 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° | -2198.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2470.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.72 | kJ/mol | Joback Calculated Property |
| log10WS | -4.75 | Crippen Calculated Property | |
| logPoct/wat | 3.367 | Crippen Calculated Property | |
| McVol | 188.560 | ml/mol | McGowan Calculated Property |
| Pc | 1954.41 | kPa | Joback Calculated Property |
| Inp | [1152.00; 1152.00] |
|
|
| Inp | 1152.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Tboil | 700.79 | K | Joback Calculated Property |
| Tc | 881.41 | K | Joback Calculated Property |
| Tfus | 483.28 | K | Joback Calculated Property |
| Vc | 0.782 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [529.53; 569.99] | J/mol×K | [700.79; 881.41] |
|
| Cp,gas | 529.53 | J/mol×K | 700.79 | Joback Calculated Property |
| Cp,gas | 537.92 | J/mol×K | 730.89 | Joback Calculated Property |
| Cp,gas | 545.60 | J/mol×K | 761.00 | Joback Calculated Property |
| Cp,gas | 552.61 | J/mol×K | 791.10 | Joback Calculated Property |
| Cp,gas | 558.98 | J/mol×K | 821.20 | Joback Calculated Property |
| Cp,gas | 564.76 | J/mol×K | 851.31 | Joback Calculated Property |
| Cp,gas | 569.99 | J/mol×K | 881.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hydroquinone, 2-trifluoroacetyl, bis-TFA.
Sources
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