- InChI
- InChI=1S/C16H7F15O11/c17-12(18,19)6(32)37-1-3-4(39-8(34)14(23,24)25)5(40-9(35)15(26,27)28)11(41-3,42-10(36)16(29,30)31)2-38-7(33)13(20,21)22/h3-5H,1-2H2
- InChI Key
- XZVKUTGQYBCICM-UHFFFAOYSA-N
- Formula
- C16H7F15O11
- SMILES
-
O=C(OCC1OC(COC(=O)C(F)(F)F)(OC
(=O)C(F)(F)F)C(OC(=O)C(F)(F)F) C1OC(=O)C(F)(F)F)C(F)(F)F - Molecular Weight1
- 660.20
- 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 | 0.8700 | Relay (... Calculated Property | |
| ΔfG° | -4071.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4813.61 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 59.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.67 | kJ/mol | Relay (... Calculated Property |
| IE | 11.78 | eV | Relay (... Calculated Property |
| log10WS | -6.18 | Relay (... Calculated Property | |
| logPoct/wat | 2.346 | Crippen Calculated Property | |
| McVol | 295.060 | ml/mol | McGowan Calculated Property |
| Pc | 1120.80 | kPa | Joback Calculated Property |
| Inp | 1308.80 | NIST | |
| Tboil | 515.44 | K | Relay (... Calculated Property |
| Tc | 683.20 | K | Relay (... Calculated Property |
| Tfus | 362.85 | K | Relay (... Calculated Property |
| Vc | 1.154 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1010.35; 1074.22] | J/mol×K | [948.29; 1170.12] | 
|
| Cp,gas | 1010.35 | J/mol×K | 948.29 | Joback Calculated Property |
| Cp,gas | 1021.57 | J/mol×K | 985.26 | Joback Calculated Property |
| Cp,gas | 1032.33 | J/mol×K | 1022.23 | Joback Calculated Property |
| Cp,gas | 1042.81 | J/mol×K | 1059.20 | Joback Calculated Property |
| Cp,gas | 1053.18 | J/mol×K | 1096.18 | Joback Calculated Property |
| Cp,gas | 1063.59 | J/mol×K | 1133.15 | Joback Calculated Property |
| Cp,gas | 1074.22 | J/mol×K | 1170.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-(-)-Tagatofuranose, pentakis(trifluoroacetate) (isomer 2).
Sources
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