- InChI
- InChI=1S/C14H12F6O4/c1-12(2,3)7-4-5-8(23-10(21)13(15,16)17)9(6-7)24-11(22)14(18,19)20/h4-6H,1-3H3
- InChI Key
- CGEZWQNDCPALEZ-UHFFFAOYSA-N
- Formula
- C14H12F6O4
- SMILES
-
CC(C)(C)c1ccc(OC(=O)C(F)(F)F)c
(OC(=O)C(F)(F)F)c1 - Molecular Weight1
- 358.23
- Other Names
-
- Pyrocatechol, 5-tert.-butyl, bis-TFA
- 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 | 0.6450 | Relay (... Calculated Property | |
| ΔfG° | -1468.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1897.06 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.42 | kJ/mol | Relay (... Calculated Property |
| IE | 9.13 | eV | Relay (... Calculated Property |
| log10WS | -5.35 | Relay (... Calculated Property | |
| logPoct/wat | 3.919 | Crippen Calculated Property | |
| McVol | 209.860 | ml/mol | McGowan Calculated Property |
| Pc | 1762.45 | kPa | Joback Calculated Property |
| Inp | [1260.00; 1260.00] |
|
|
| Inp | 1260.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Tboil | 492.71 | K | Relay (... Calculated Property |
| Tc | 700.63 | K | Relay (... Calculated Property |
| Tfus | 332.94 | K | Relay (... Calculated Property |
| Vc | 0.787 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.84; 654.43] | J/mol×K | [694.87; 884.41] |
|
| Cp,gas | 594.84 | J/mol×K | 694.87 | Joback Calculated Property |
| Cp,gas | 606.80 | J/mol×K | 726.46 | Joback Calculated Property |
| Cp,gas | 617.89 | J/mol×K | 758.05 | Joback Calculated Property |
| Cp,gas | 628.14 | J/mol×K | 789.64 | Joback Calculated Property |
| Cp,gas | 637.62 | J/mol×K | 821.23 | Joback Calculated Property |
| Cp,gas | 646.37 | J/mol×K | 852.82 | Joback Calculated Property |
| Cp,gas | 654.43 | J/mol×K | 884.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-tert-Butylcatechol, bis(trifluoroacetate).
Sources
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