- InChI
- InChI=1S/C11H4F8O4/c12-9(13,11(17,18)19)7(20)22-5-3-1-2-4-6(5)23-8(21)10(14,15)16/h1-4H
- InChI Key
- TVYMIPKKIIWINS-UHFFFAOYSA-N
- Formula
- C11H4F8O4
- SMILES
-
O=C(Oc1ccccc1OC(=O)C(F)(F)C(F)
(F)F)C(F)(F)F - Molecular Weight1
- 352.13
- 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 | 0.6059 | Relay (... Calculated Property | |
| ΔfG° | -1873.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2232.85 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.18 | kJ/mol | Relay (... Calculated Property |
| IE | 9.89 | eV | Relay (... Calculated Property |
| log10WS | -4.60 | Relay (... Calculated Property | |
| logPoct/wat | 3.257 | Crippen Calculated Property | |
| McVol | 171.130 | ml/mol | McGowan Calculated Property |
| Pc | 2125.60 | kPa | Joback Calculated Property |
| Inp | [1022.00; 1022.00] |
|
|
| Inp | 1022.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Tboil | 457.46 | K | Relay (... Calculated Property |
| Tc | 648.19 | K | Relay (... Calculated Property |
| Tfus | 296.58 | K | Relay (... Calculated Property |
| Vc | 0.643 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.50; 510.92] | J/mol×K | [619.79; 798.95] |
|
| Cp,gas | 462.50 | J/mol×K | 619.79 | Joback Calculated Property |
| Cp,gas | 472.36 | J/mol×K | 649.65 | Joback Calculated Property |
| Cp,gas | 481.46 | J/mol×K | 679.51 | Joback Calculated Property |
| Cp,gas | 489.82 | J/mol×K | 709.37 | Joback Calculated Property |
| Cp,gas | 497.49 | J/mol×K | 739.23 | Joback Calculated Property |
| Cp,gas | 504.51 | J/mol×K | 769.09 | Joback Calculated Property |
| Cp,gas | 510.92 | J/mol×K | 798.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pyrocatechol, TFA-PFP.
Sources
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