- InChI
- InChI=1S/C15H7F15O10/c16-11(17,18)6(31)36-1-3(38-8(33)13(22,23)24)5(40-10(35)15(28,29)30)4(39-9(34)14(25,26)27)2-37-7(32)12(19,20)21/h3-5H,1-2H2
- InChI Key
- VKRTZHFXBRDDBC-UHFFFAOYSA-N
- Formula
- C15H7F15O10
- SMILES
-
O=C(OCC(OC(=O)C(F)(F)F)C(OC(=O
)C(F)(F)F)C(COC(=O)C(F)(F)F)OC (=O)C(F)(F)F)C(F)(F)F - Molecular Weight1
- 632.19
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -4009.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4578.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.86 | kJ/mol | Joback Calculated Property |
| log10WS | -4.06 | Crippen Calculated Property | |
| logPoct/wat | 2.620 | Crippen Calculated Property | |
| McVol | 285.960 | ml/mol | McGowan Calculated Property |
| Pc | 1123.06 | kPa | Joback Calculated Property |
| Inp | [1039.20; 1039.20] |
|
|
| Inp | 1039.20 | NIST | |
| Inp | 1039.20 | NIST | |
| Tboil | 895.63 | K | Joback Calculated Property |
| Tc | 1104.84 | K | Joback Calculated Property |
| Tfus | 595.56 | K | Joback Calculated Property |
| Vc | 1.192 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [925.57; 957.62] | J/mol×K | [895.63; 1104.84] |
|
| Cp,gas | 925.57 | J/mol×K | 895.63 | Joback Calculated Property |
| Cp,gas | 933.39 | J/mol×K | 930.50 | Joback Calculated Property |
| Cp,gas | 940.12 | J/mol×K | 965.37 | Joback Calculated Property |
| Cp,gas | 945.84 | J/mol×K | 1000.23 | Joback Calculated Property |
| Cp,gas | 950.61 | J/mol×K | 1035.10 | Joback Calculated Property |
| Cp,gas | 954.51 | J/mol×K | 1069.97 | Joback Calculated Property |
| Cp,gas | 957.62 | J/mol×K | 1104.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adonitol, pentakis(trifluoroacetate).
Sources
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