- InChI
- InChI=1S/C16H7F15O11/c17-12(18,19)7(32)37-1-2-3(39-8(33)13(20,21)22)4(40-9(34)14(23,24)25)5(41-10(35)15(26,27)28)6(38-2)42-11(36)16(29,30)31/h2-6H,1H2
- InChI Key
- FMTKBUZWITYHQE-UHFFFAOYSA-N
- Formula
- C16H7F15O11
- SMILES
-
O=C(OCC1OC(OC(=O)C(F)(F)F)C(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 | 0.8385 | Relay (1.0) Calculated Property | |
| ΔfG° | -4086.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4828.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.345 | Crippen Calculated Property | |
| McVol | 295.060 | ml/mol | McGowan Calculated Property |
| Pc | 1082.06 | kPa | Joback Calculated Property |
| Inp | 1109.30 | NIST | |
| Tboil | 519.73 | K | Relay (1.0) Calculated Property |
| Tc | 687.99 | K | Relay (1.0) Calculated Property |
| Tfus | 374.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.143 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1016.80; 1039.34] | J/mol×K | [947.65; 1169.63] | 
|
| Cp,gas | 1016.80 | J/mol×K | 947.65 | Joback Calculated Property |
| Cp,gas | 1024.35 | J/mol×K | 984.65 | Joback Calculated Property |
| Cp,gas | 1030.30 | J/mol×K | 1021.64 | Joback Calculated Property |
| Cp,gas | 1034.72 | J/mol×K | 1058.64 | Joback Calculated Property |
| Cp,gas | 1037.66 | J/mol×K | 1095.64 | Joback Calculated Property |
| Cp,gas | 1039.18 | J/mol×K | 1132.63 | Joback Calculated Property |
| Cp,gas | 1039.34 | J/mol×K | 1169.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Allopyranose, pentakis(trifluoroacetate) (isomer 1).
Sources
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