- InChI
- InChI=1S/C8H8F6O5/c9-7(10,11)5(16)18-2-1-4(3-15)19-6(17)8(12,13)14/h4,15H,1-3H2
- InChI Key
- SFPBHDIELIHYRT-UHFFFAOYSA-N
- Formula
- C8H8F6O5
- SMILES
-
O=C(OCCC(CO)OC(=O)C(F)(F)F)C(F
)(F)F - Molecular Weight1
- 298.14
- 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 | 0.7608 | Relay (... Calculated Property | |
| ΔfG° | -1753.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2136.57 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.77 | kJ/mol | Relay (... Calculated Property |
| IE | 11.16 | eV | Relay (... Calculated Property |
| log10WS | -1.68 | Relay (... Calculated Property | |
| logPoct/wat | 0.948 | Crippen Calculated Property | |
| McVol | 154.950 | ml/mol | McGowan Calculated Property |
| Pc | 2436.25 | kPa | Joback Calculated Property |
| Inp | [1046.00; 1046.00] |
|
|
| Inp | 1046.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Tboil | 465.08 | K | Relay (... Calculated Property |
| Tc | 622.36 | K | Relay (... Calculated Property |
| Tfus | 304.37 | K | Relay (... Calculated Property |
| Vc | 0.587 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.12; 473.34] | J/mol×K | [615.92; 774.18] |
|
| Cp,gas | 429.12 | J/mol×K | 615.92 | Joback Calculated Property |
| Cp,gas | 437.66 | J/mol×K | 642.30 | Joback Calculated Property |
| Cp,gas | 445.72 | J/mol×K | 668.67 | Joback Calculated Property |
| Cp,gas | 453.29 | J/mol×K | 695.05 | Joback Calculated Property |
| Cp,gas | 460.41 | J/mol×K | 721.43 | Joback Calculated Property |
| Cp,gas | 467.09 | J/mol×K | 747.80 | Joback Calculated Property |
| Cp,gas | 473.34 | J/mol×K | 774.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-(-)-1,2,4-Butanetriol, 2,4-di(trifluoroacetate).
Sources
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