- InChI
- InChI=1S/C11H6F6O4/c12-10(13,14)8(18)20-5-6-2-1-3-7(4-6)21-9(19)11(15,16)17/h1-4H,5H2
- InChI Key
- OHASXCZQAZMRJR-UHFFFAOYSA-N
- Formula
- C11H6F6O4
- SMILES
-
O=C(OCc1cccc(OC(=O)C(F)(F)F)c1
)C(F)(F)F - Molecular Weight1
- 316.15
- 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 | 0.6081 | Relay (1.0) Calculated Property | |
| ΔfG° | -1486.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1786.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.760 | Crippen Calculated Property | |
| McVol | 167.590 | ml/mol | McGowan Calculated Property |
| Pc | 2271.90 | kPa | Joback Calculated Property |
| Inp | [1165.00; 1165.00] |
|
|
| Inp | 1165.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Tboil | 478.89 | K | Relay (1.0) Calculated Property |
| Tc | 669.34 | K | Relay (1.0) Calculated Property |
| Tfus | 284.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.629 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.65; 494.35] | J/mol×K | [624.48; 809.32] |
|
| Cp,gas | 442.65 | J/mol×K | 624.48 | Joback Calculated Property |
| Cp,gas | 453.00 | J/mol×K | 655.29 | Joback Calculated Property |
| Cp,gas | 462.62 | J/mol×K | 686.09 | Joback Calculated Property |
| Cp,gas | 471.54 | J/mol×K | 716.90 | Joback Calculated Property |
| Cp,gas | 479.78 | J/mol×K | 747.71 | Joback Calculated Property |
| Cp,gas | 487.37 | J/mol×K | 778.52 | Joback Calculated Property |
| Cp,gas | 494.35 | J/mol×K | 809.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hydroxybenzyl alcohol, bis(trifluoroacetate).
Sources
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