- InChI
- InChI=1S/C13H5F9O6/c14-11(15,16)8(23)26-4-5-1-6(27-9(24)12(17,18)19)3-7(2-5)28-10(25)13(20,21)22/h1-3H,4H2
- InChI Key
- FTYDVVMEIZKILN-UHFFFAOYSA-N
- Formula
- C13H5F9O6
- SMILES
-
O=C(OCc1cc(OC(=O)C(F)(F)F)cc(O
C(=O)C(F)(F)F)c1)C(F)(F)F - Molecular Weight1
- 428.16
- 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 | 0.7726 | Relay (1.0) Calculated Property | |
| ΔfG° | -2294.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2712.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.228 | Crippen Calculated Property | |
| McVol | 208.520 | ml/mol | McGowan Calculated Property |
| Pc | 1772.85 | kPa | Joback Calculated Property |
| Inp | [1244.00; 1244.00] |
|
|
| Inp | 1244.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Tboil | 506.17 | K | Relay (1.0) Calculated Property |
| Tc | 697.57 | K | Relay (1.0) Calculated Property |
| Tfus | 339.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.799 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.89; 645.56] | J/mol×K | [746.09; 927.59] |
|
| Cp,gas | 603.89 | J/mol×K | 746.09 | Joback Calculated Property |
| Cp,gas | 612.57 | J/mol×K | 776.34 | Joback Calculated Property |
| Cp,gas | 620.52 | J/mol×K | 806.59 | Joback Calculated Property |
| Cp,gas | 627.76 | J/mol×K | 836.84 | Joback Calculated Property |
| Cp,gas | 634.32 | J/mol×K | 867.09 | Joback Calculated Property |
| Cp,gas | 640.25 | J/mol×K | 897.34 | Joback Calculated Property |
| Cp,gas | 645.56 | J/mol×K | 927.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Dihydroxybenzyl alcohol, tris(trifluoroacetate).
Sources
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