- InChI
- InChI=1S/C18H8F18O12/c19-13(20,21)7(37)43-1-3(45-9(39)15(25,26)27)5(47-11(41)17(31,32)33)6(48-12(42)18(34,35)36)4(46-10(40)16(28,29)30)2-44-8(38)14(22,23)24/h3-6H,1-2H2
- InChI Key
- KHPSGAMQGNMDJO-UHFFFAOYSA-N
- Formula
- C18H8F18O12
- SMILES
-
O=C(OCC(OC(=O)C(F)(F)F)C(OC(=O
)C(F)(F)F)C(OC(=O)C(F)(F)F)C(C OC(=O)C(F)(F)F)OC(=O)C(F)(F)F) C(F)(F)F - Molecular Weight1
- 758.22
- 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° | -4802.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -5487.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.56 | kJ/mol | Joback Calculated Property |
| log10WS | -4.96 | Crippen Calculated Property | |
| logPoct/wat | 3.094 | Crippen Calculated Property | |
| McVol | 340.980 | ml/mol | McGowan Calculated Property |
| Pc | 899.64 | kPa | Joback Calculated Property |
| Inp | [1097.90; 1097.90] |
|
|
| Inp | 1097.90 | NIST | |
| Inp | 1097.90 | NIST | |
| Tboil | 1034.70 | K | Joback Calculated Property |
| Tc | 1325.15 | K | Joback Calculated Property |
| Tfus | 690.72 | K | Joback Calculated Property |
| Vc | 1.421 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1136.87; 1151.75] | J/mol×K | [1034.70; 1325.15] |
|
| Cp,gas | 1136.87 | J/mol×K | 1034.70 | Joback Calculated Property |
| Cp,gas | 1142.91 | J/mol×K | 1083.11 | Joback Calculated Property |
| Cp,gas | 1147.19 | J/mol×K | 1131.52 | Joback Calculated Property |
| Cp,gas | 1149.93 | J/mol×K | 1179.92 | Joback Calculated Property |
| Cp,gas | 1151.37 | J/mol×K | 1228.33 | Joback Calculated Property |
| Cp,gas | 1151.75 | J/mol×K | 1276.74 | Joback Calculated Property |
| Cp,gas | 1151.32 | J/mol×K | 1325.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Mannitol, hexakis(trifluoroacetate).
Sources
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