- InChI
- InChI=1S/C12H8F14O5/c13-7(14,9(17,18)11(21,22)23)5(28)30-2-1-4(3-27)31-6(29)8(15,16)10(19,20)12(24,25)26/h4,27H,1-3H2
- InChI Key
- NBPSKUASTBFLKL-UHFFFAOYSA-N
- Formula
- C12H8F14O5
- SMILES
-
O=C(OCCC(CO)OC(=O)C(F)(F)C(F)(
F)C(F)(F)F)C(F)(F)C(F)(F)C(F)( F)F - Molecular Weight1
- 498.17
- 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 | 0.9026 | Relay (... Calculated Property | |
| ΔfG° | -3267.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3830.84 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.75 | kJ/mol | Relay (... Calculated Property |
| IE | 11.13 | eV | Relay (... Calculated Property |
| log10WS | -5.95 | Relay (... Calculated Property | |
| logPoct/wat | 3.490 | Crippen Calculated Property | |
| McVol | 225.470 | ml/mol | McGowan Calculated Property |
| Pc | 1377.86 | kPa | Joback Calculated Property |
| Inp | 1132.00 | NIST | |
| Tboil | 501.48 | K | Relay (... Calculated Property |
| Tc | 638.00 | K | Relay (... Calculated Property |
| Tfus | 321.42 | K | Relay (... Calculated Property |
| Vc | 0.889 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [704.72; 750.74] | J/mol×K | [688.68; 844.07] | 
|
| Cp,gas | 704.72 | J/mol×K | 688.68 | Joback Calculated Property |
| Cp,gas | 714.03 | J/mol×K | 714.58 | Joback Calculated Property |
| Cp,gas | 722.61 | J/mol×K | 740.48 | Joback Calculated Property |
| Cp,gas | 730.52 | J/mol×K | 766.38 | Joback Calculated Property |
| Cp,gas | 737.80 | J/mol×K | 792.28 | Joback Calculated Property |
| Cp,gas | 744.53 | J/mol×K | 818.17 | Joback Calculated Property |
| Cp,gas | 750.74 | J/mol×K | 844.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-(-)-1,2,4-Butanetriol, 2,4-di(heptafluorobutyrate).
Sources
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