- InChI
- InChI=1S/C15H17F9O9/c1-28-4-7(32-11(26)14(19,20)21)9(33-12(27)15(22,23)24)8(30-3)6(29-2)5-31-10(25)13(16,17)18/h6-9H,4-5H2,1-3H3/t6-,7+,8-,9-/m0/s1
- InChI Key
- JBIRWIOENMLNLD-KZVJFYERSA-N
- Formula
- C15H17F9O9
- SMILES
-
COCC(OC(=O)C(F)(F)F)C(OC(=O)C(
F)(F)F)C(OC)C(COC(=O)C(F)(F)F) OC - Molecular Weight1
- 512.28
- 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° | -2695.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3296.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.89 | kJ/mol | Joback Calculated Property |
| log10WS | -2.39 | Crippen Calculated Property | |
| logPoct/wat | 1.717 | Crippen Calculated Property | |
| McVol | 278.070 | ml/mol | McGowan Calculated Property |
| Pc | 1199.79 | kPa | Joback Calculated Property |
| Inp | [1327.00; 1335.00] |
|
|
| Inp | 1335.00 | NIST | |
| Inp | 1327.00 | NIST | |
| Tboil | 820.71 | K | Joback Calculated Property |
| Tc | 1004.78 | K | Joback Calculated Property |
| Tfus | 494.55 | K | Joback Calculated Property |
| Vc | 1.107 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [887.11; 942.42] | J/mol×K | [820.71; 1004.78] |
|
| Cp,gas | 887.11 | J/mol×K | 820.71 | Joback Calculated Property |
| Cp,gas | 898.89 | J/mol×K | 851.39 | Joback Calculated Property |
| Cp,gas | 909.62 | J/mol×K | 882.07 | Joback Calculated Property |
| Cp,gas | 919.33 | J/mol×K | 912.75 | Joback Calculated Property |
| Cp,gas | 928.03 | J/mol×K | 943.43 | Joback Calculated Property |
| Cp,gas | 935.72 | J/mol×K | 974.11 | Joback Calculated Property |
| Cp,gas | 942.42 | J/mol×K | 1004.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sorbitol, 2,3,6-trimethyl, TFA.
Sources
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