- InChI
- InChI=1S/C26H40F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-31-25(29)15-14-16-26(30)32-21-22-20-23(27)17-18-24(22)28/h17-18,20H,2-16,19,21H2,1H3
- InChI Key
- ABQLNGYMCDBGHH-UHFFFAOYSA-N
- Formula
- C26H40F2O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCC(=O)OC
c1cc(F)ccc1F - Molecular Weight1
- 454.59
- 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° | -596.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1248.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.75 | kJ/mol | Joback Calculated Property |
| log10WS | -8.69 | Crippen Calculated Property | |
| logPoct/wat | 7.423 | Crippen Calculated Property | |
| McVol | 371.860 | ml/mol | McGowan Calculated Property |
| Pc | 859.48 | kPa | Joback Calculated Property |
| Inp | [3053.00; 3053.00] |
|
|
| Inp | 3053.00 | NIST | |
| Inp | 3053.00 | NIST | |
| Tboil | 982.04 | K | Joback Calculated Property |
| Tc | 1206.32 | K | Joback Calculated Property |
| Tfus | 579.74 | K | Joback Calculated Property |
| Vc | 1.468 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1256.69; 1337.96] | J/mol×K | [982.04; 1206.32] |
|
| Cp,gas | 1256.69 | J/mol×K | 982.04 | Joback Calculated Property |
| Cp,gas | 1274.12 | J/mol×K | 1019.42 | Joback Calculated Property |
| Cp,gas | 1289.93 | J/mol×K | 1056.80 | Joback Calculated Property |
| Cp,gas | 1304.17 | J/mol×K | 1094.18 | Joback Calculated Property |
| Cp,gas | 1316.89 | J/mol×K | 1131.56 | Joback Calculated Property |
| Cp,gas | 1328.14 | J/mol×K | 1168.94 | Joback Calculated Property |
| Cp,gas | 1337.96 | J/mol×K | 1206.32 | Joback Calculated Property |
Similar Compounds
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Sources
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