- InChI
- InChI=1S/C14H8F12O9/c15-11(16,17)7(27)32-1-3-5(34-9(29)13(21,22)23)6(35-10(30)14(24,25)26)4(2-31-3)33-8(28)12(18,19)20/h3-6H,1-2H2
- InChI Key
- MBBRCPSEFKECJI-UHFFFAOYSA-N
- Formula
- C14H8F12O9
- SMILES
-
O=C(OCC1OCC(OC(=O)C(F)(F)F)C(O
C(=O)C(F)(F)F)C1OC(=O)C(F)(F)F )C(F)(F)F - Molecular Weight1
- 548.19
- 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° | -3279.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3838.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.41 | kJ/mol | Joback Calculated Property |
| log10WS | -3.21 | Crippen Calculated Property | |
| logPoct/wat | 1.913 | Crippen Calculated Property | |
| McVol | 254.130 | ml/mol | McGowan Calculated Property |
| Pc | 1327.14 | kPa | Joback Calculated Property |
| Inp | [1238.80; 1238.80] |
|
|
| Inp | 1238.80 | NIST | |
| Inp | 1238.80 | NIST | |
| Tboil | 835.69 | K | Joback Calculated Property |
| Tc | 1023.43 | K | Joback Calculated Property |
| Tfus | 574.17 | K | Joback Calculated Property |
| Vc | 1.038 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [846.84; 890.43] | J/mol×K | [835.69; 1023.43] |
|
| Cp,gas | 846.84 | J/mol×K | 835.69 | Joback Calculated Property |
| Cp,gas | 856.74 | J/mol×K | 866.98 | Joback Calculated Property |
| Cp,gas | 865.54 | J/mol×K | 898.27 | Joback Calculated Property |
| Cp,gas | 873.28 | J/mol×K | 929.56 | Joback Calculated Property |
| Cp,gas | 879.98 | J/mol×K | 960.85 | Joback Calculated Property |
| Cp,gas | 885.69 | J/mol×K | 992.14 | Joback Calculated Property |
| Cp,gas | 890.43 | J/mol×K | 1023.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Anhydro-D-sorbitol, tetrakis(trifluoroacetate).
Sources
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