- InChI
- InChI=1S/C17H10F15NO11/c1-39-33-2-4(41-9(35)14(21,22)23)6(43-11(37)16(27,28)29)7(44-12(38)17(30,31)32)5(42-10(36)15(24,25)26)3-40-8(34)13(18,19)20/h2,4-7H,3H2,1H3
- InChI Key
- IOALWQFXAPVULK-UHFFFAOYSA-N
- Formula
- C17H10F15NO11
- SMILES
-
CON=CC(OC(=O)C(F)(F)F)C(OC(=O)
C(F)(F)F)C(OC(=O)C(F)(F)F)C(CO C(=O)C(F)(F)F)OC(=O)C(F)(F)F - Molecular Weight1
- 689.24
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -4674.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.65 | kJ/mol | Joback Calculated Property |
| log10WS | -4.25 | Crippen Calculated Property | |
| logPoct/wat | 2.620 | Crippen Calculated Property | |
| McVol | 325.690 | ml/mol | McGowan Calculated Property |
| Pc | 923.86 | kPa | Joback Calculated Property |
| Inp | 1142.60 | NIST | |
| Tboil | 1040.05 | K | Joback Calculated Property |
| Tc | 1307.10 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-(+)-Mannose, pentakis(trifluoroacetate), methyloxime (anti).
Sources
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