- InChI
- InChI=1S/C26H28F6O6/c27-25(28,29)37-21-13-9-19(10-14-21)17-35-23(33)7-5-3-1-2-4-6-8-24(34)36-18-20-11-15-22(16-12-20)38-26(30,31)32/h9-16H,1-8,17-18H2
- InChI Key
- JMHRXKACIBAHAX-UHFFFAOYSA-N
- Formula
- C26H28F6O6
- SMILES
-
O=C(CCCCCCCCC(=O)OCc1ccc(OC(F)
(F)F)cc1)OCc1ccc(OC(F)(F)F)cc1 - Molecular Weight1
- 550.49
- 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° | -1467.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2078.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.98 | kJ/mol | Joback Calculated Property |
| log10WS | -9.35 | Crippen Calculated Property | |
| logPoct/wat | 7.391 | Crippen Calculated Property | |
| McVol | 366.920 | ml/mol | McGowan Calculated Property |
| Pc | 943.26 | kPa | Joback Calculated Property |
| Inp | [2759.00; 2759.00] |
|
|
| Inp | 2759.00 | NIST | |
| Inp | 2759.00 | NIST | |
| Tboil | 1044.18 | K | Joback Calculated Property |
| Tc | 1282.70 | K | Joback Calculated Property |
| Tfus | 657.82 | K | Joback Calculated Property |
| Vc | 1.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1230.24; 1280.17] | J/mol×K | [1044.18; 1282.70] |
|
| Cp,gas | 1230.24 | J/mol×K | 1044.18 | Joback Calculated Property |
| Cp,gas | 1242.22 | J/mol×K | 1083.93 | Joback Calculated Property |
| Cp,gas | 1252.61 | J/mol×K | 1123.69 | Joback Calculated Property |
| Cp,gas | 1261.51 | J/mol×K | 1163.44 | Joback Calculated Property |
| Cp,gas | 1269.01 | J/mol×K | 1203.19 | Joback Calculated Property |
| Cp,gas | 1275.20 | J/mol×K | 1242.94 | Joback Calculated Property |
| Cp,gas | 1280.17 | J/mol×K | 1282.70 | Joback Calculated Property |
Similar Compounds
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Sources
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