- InChI
- InChI=1S/C10H8F10O5/c11-7(12,9(15,16)17)5(22)24-2-1-4(3-21)25-6(23)8(13,14)10(18,19)20/h4,21H,1-3H2
- InChI Key
- SJKPSOOKCDNRPQ-UHFFFAOYSA-N
- Formula
- C10H8F10O5
- SMILES
-
O=C(OCCC(CO)OC(=O)C(F)(F)C(F)(
F)F)C(F)(F)C(F)(F)F - Molecular Weight1
- 398.15
- 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 | 0.8345 | Relay (1.0) Calculated Property | |
| ΔfG° | -2510.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3016.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.219 | Crippen Calculated Property | |
| McVol | 190.210 | ml/mol | McGowan Calculated Property |
| Pc | 1795.46 | kPa | Joback Calculated Property |
| Inp | 1063.00 | NIST | |
| Tboil | 475.77 | K | Relay (1.0) Calculated Property |
| Tc | 623.92 | K | Relay (1.0) Calculated Property |
| Tfus | 314.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.735 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [565.55; 610.94] | J/mol×K | [652.30; 806.22] | 
|
| Cp,gas | 565.55 | J/mol×K | 652.30 | Joback Calculated Property |
| Cp,gas | 574.54 | J/mol×K | 677.95 | Joback Calculated Property |
| Cp,gas | 582.92 | J/mol×K | 703.61 | Joback Calculated Property |
| Cp,gas | 590.71 | J/mol×K | 729.26 | Joback Calculated Property |
| Cp,gas | 597.96 | J/mol×K | 754.92 | Joback Calculated Property |
| Cp,gas | 604.69 | J/mol×K | 780.57 | Joback Calculated Property |
| Cp,gas | 610.94 | J/mol×K | 806.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-(-)-1,2,4-Butanetriol, 2,4-di(pentafluoropropionate).
Sources
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