- InChI
- InChI=1S/C17H13F9O7/c18-15(19,20)12(27)31-7-10(30-6-9-4-2-1-3-5-9)11(33-14(29)17(24,25)26)8-32-13(28)16(21,22)23/h1-5,10-11H,6-8H2
- InChI Key
- QVSPLHGYEGENNA-UHFFFAOYSA-N
- Formula
- C17H13F9O7
- SMILES
-
O=C(OCC(OCc1ccccc1)C(COC(=O)C(
F)(F)F)OC(=O)C(F)(F)F)C(F)(F)F - Molecular Weight1
- 500.27
- 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 | 0.8079 | Relay (... Calculated Property | |
| ΔfG° | -2351.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2912.95 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 41.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.31 | kJ/mol | Relay (... Calculated Property |
| IE | 9.95 | eV | Relay (... Calculated Property |
| log10WS | -4.36 | Relay (... Calculated Property | |
| logPoct/wat | 3.257 | Crippen Calculated Property | |
| McVol | 270.750 | ml/mol | McGowan Calculated Property |
| Pc | 1341.76 | kPa | Joback Calculated Property |
| Inp | 1496.10 | NIST | |
| Tboil | 568.74 | K | Relay (... Calculated Property |
| Tc | 730.19 | K | Relay (... Calculated Property |
| Tfus | 321.77 | K | Relay (... Calculated Property |
| Vc | 1.006 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [847.81; 895.70] | J/mol×K | [849.19; 1041.35] | 
|
| Cp,gas | 847.81 | J/mol×K | 849.19 | Joback Calculated Property |
| Cp,gas | 858.10 | J/mol×K | 881.22 | Joback Calculated Property |
| Cp,gas | 867.40 | J/mol×K | 913.24 | Joback Calculated Property |
| Cp,gas | 875.76 | J/mol×K | 945.27 | Joback Calculated Property |
| Cp,gas | 883.24 | J/mol×K | 977.29 | Joback Calculated Property |
| Cp,gas | 889.87 | J/mol×K | 1009.32 | Joback Calculated Property |
| Cp,gas | 895.70 | J/mol×K | 1041.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (2R,3R)-(-)-2-Benzyloxy-1,3,4-butanetriol, tris(trifluoroacetate).
Sources
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