- InChI
- InChI=1S/C29H46F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-34-28(32)18-17-19-29(33)35-24-25-23-26(30)20-21-27(25)31/h20-21,23H,2-19,22,24H2,1H3
- InChI Key
- OOYRHQWTGDWDRK-UHFFFAOYSA-N
- Formula
- C29H46F2O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCCC(=O
)OCc1cc(F)ccc1F - Molecular Weight1
- 496.67
- 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° | -571.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1310.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 75.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.43 | kJ/mol | Joback Calculated Property |
| log10WS | -9.95 | Crippen Calculated Property | |
| logPoct/wat | 8.593 | Crippen Calculated Property | |
| McVol | 414.130 | ml/mol | McGowan Calculated Property |
| Pc | 730.86 | kPa | Joback Calculated Property |
| Inp | [3369.00; 3369.00] |
|
|
| Inp | 3369.00 | NIST | |
| Inp | 3369.00 | NIST | |
| Tboil | 1050.68 | K | Joback Calculated Property |
| Tc | 1305.28 | K | Joback Calculated Property |
| Tfus | 613.55 | K | Joback Calculated Property |
| Vc | 1.635 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1445.41; 1528.09] | J/mol×K | [1050.68; 1305.28] |
|
| Cp,gas | 1445.41 | J/mol×K | 1050.68 | Joback Calculated Property |
| Cp,gas | 1464.22 | J/mol×K | 1093.11 | Joback Calculated Property |
| Cp,gas | 1480.90 | J/mol×K | 1135.55 | Joback Calculated Property |
| Cp,gas | 1495.53 | J/mol×K | 1177.98 | Joback Calculated Property |
| Cp,gas | 1508.22 | J/mol×K | 1220.41 | Joback Calculated Property |
| Cp,gas | 1519.04 | J/mol×K | 1262.85 | Joback Calculated Property |
| Cp,gas | 1528.09 | J/mol×K | 1305.28 | Joback Calculated Property |
Similar Compounds
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Sources
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