- InChI
- InChI=1S/C12H3F9O6/c13-10(14,15)7(22)25-4-1-5(26-8(23)11(16,17)18)3-6(2-4)27-9(24)12(19,20)21/h1-3H
- InChI Key
- IEOPDDSLKBQHLG-UHFFFAOYSA-N
- Formula
- C12H3F9O6
- SMILES
-
O=C(Oc1cc(OC(=O)C(F)(F)F)cc(OC
(=O)C(F)(F)F)c1)C(F)(F)F - Molecular Weight1
- 414.13
- 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° | -2303.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2603.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.13 | kJ/mol | Joback Calculated Property |
| log10WS | -4.40 | Crippen Calculated Property | |
| logPoct/wat | 3.090 | Crippen Calculated Property | |
| McVol | 194.430 | ml/mol | McGowan Calculated Property |
| Pc | 1925.36 | kPa | Joback Calculated Property |
| Inp | [1077.00; 1077.00] |
|
|
| Inp | 1077.00 | NIST | |
| Inp | 1077.00 | NIST | |
| Tboil | 723.21 | K | Joback Calculated Property |
| Tc | 904.30 | K | Joback Calculated Property |
| Tfus | 505.51 | K | Joback Calculated Property |
| Vc | 0.800 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [552.97; 592.21] | J/mol×K | [723.21; 904.30] |
|
| Cp,gas | 552.97 | J/mol×K | 723.21 | Joback Calculated Property |
| Cp,gas | 561.18 | J/mol×K | 753.39 | Joback Calculated Property |
| Cp,gas | 568.68 | J/mol×K | 783.57 | Joback Calculated Property |
| Cp,gas | 575.51 | J/mol×K | 813.75 | Joback Calculated Property |
| Cp,gas | 581.68 | J/mol×K | 843.93 | Joback Calculated Property |
| Cp,gas | 587.24 | J/mol×K | 874.11 | Joback Calculated Property |
| Cp,gas | 592.21 | J/mol×K | 904.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phloroglucinol, tris(trifluoroacetate).
Sources
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