- InChI
- InChI=1S/C10H4F6O4/c11-9(12,13)7(17)19-5-3-1-2-4-6(5)20-8(18)10(14,15)16/h1-4H
- InChI Key
- HCNDLYNWFQKHJZ-UHFFFAOYSA-N
- Formula
- C10H4F6O4
- SMILES
-
O=C(Oc1ccccc1OC(=O)C(F)(F)F)C(
F)(F)F - Molecular Weight1
- 302.13
- CAS
- 23529-06-8
- Other Names
-
- 2-[(2,2,2-Trifluoroacetyl)oxy]phenyl trifluoroacetate
- 2-Hydroxyphenol di-TFA
- Acetic acid, trifluoro-, O-phenylene ester
- O-Phenylene trifluoroacetate
- Pyrocatechol, bis-TFA
- 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° | -1494.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1708.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.61 | kJ/mol | Joback Calculated Property |
| log10WS | -3.42 | Crippen Calculated Property | |
| logPoct/wat | 2.622 | Crippen Calculated Property | |
| McVol | 153.500 | ml/mol | McGowan Calculated Property |
| Pc | 2495.01 | kPa | Joback Calculated Property |
| Inp | [995.00; 995.00] |
|
|
| Inp | 995.00 | NIST | |
| Inp | 995.00 | NIST | |
| Tboil | 601.60 | K | Joback Calculated Property |
| Tc | 788.25 | K | Joback Calculated Property |
| Tfus | 394.10 | K | Joback Calculated Property |
| Vc | 0.622 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [395.32; 443.64] | J/mol×K | [601.60; 788.25] |
|
| Cp,gas | 395.32 | J/mol×K | 601.60 | Joback Calculated Property |
| Cp,gas | 405.05 | J/mol×K | 632.71 | Joback Calculated Property |
| Cp,gas | 414.07 | J/mol×K | 663.82 | Joback Calculated Property |
| Cp,gas | 422.42 | J/mol×K | 694.92 | Joback Calculated Property |
| Cp,gas | 430.10 | J/mol×K | 726.03 | Joback Calculated Property |
| Cp,gas | 437.17 | J/mol×K | 757.14 | Joback Calculated Property |
| Cp,gas | 443.64 | J/mol×K | 788.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxyphenol bis(trifluoroactate).
Sources
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