- InChI
- InChI=1S/C17H11F15O11/c1-38-4(2-39-8(33)13(18,19)20)6(42-11(36)16(27,28)29)7(43-12(37)17(30,31)32)5(41-10(35)15(24,25)26)3-40-9(34)14(21,22)23/h4-7H,2-3H2,1H3/t4-,5+,6-,7-/m0/s1
- InChI Key
- MLEHIUJWCFJTTR-VZFHVOOUSA-N
- Formula
- C17H11F15O11
- SMILES
-
COC(COC(=O)C(F)(F)F)C(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 - Molecular Weight1
- 676.24
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9341 | Relay (1.0) Calculated Property | |
| ΔfG° | -4100.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4827.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.635 | Crippen Calculated Property | |
| McVol | 320.010 | ml/mol | McGowan Calculated Property |
| Pc | 985.78 | kPa | Joback Calculated Property |
| Inp | [1155.00; 1167.00] |
|
|
| Inp | 1167.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Tboil | 541.80 | K | Relay (1.0) Calculated Property |
| Tc | 660.53 | K | Relay (1.0) Calculated Property |
| Tfus | 365.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.213 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1060.53; 1088.10] | J/mol×K | [963.37; 1202.74] |
|
| Cp,gas | 1060.53 | J/mol×K | 963.37 | Joback Calculated Property |
| Cp,gas | 1068.63 | J/mol×K | 1003.26 | Joback Calculated Property |
| Cp,gas | 1075.19 | J/mol×K | 1043.16 | Joback Calculated Property |
| Cp,gas | 1080.32 | J/mol×K | 1083.05 | Joback Calculated Property |
| Cp,gas | 1084.11 | J/mol×K | 1122.95 | Joback Calculated Property |
| Cp,gas | 1086.67 | J/mol×K | 1162.84 | Joback Calculated Property |
| Cp,gas | 1088.10 | J/mol×K | 1202.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sorbitol, 2-methyl, TFA.
Sources
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