- InChI
- InChI=1S/C28H44F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-33-27(31)17-16-18-28(32)34-23-24-22-25(29)19-20-26(24)30/h19-20,22H,2-18,21,23H2,1H3
- InChI Key
- OIGFWNSURBRTBH-UHFFFAOYSA-N
- Formula
- C28H44F2O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCC(=O)
OCc1cc(F)ccc1F - Molecular Weight1
- 482.64
- 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° | -579.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1289.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 73.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.20 | kJ/mol | Joback Calculated Property |
| log10WS | -9.53 | Crippen Calculated Property | |
| logPoct/wat | 8.203 | Crippen Calculated Property | |
| McVol | 400.040 | ml/mol | McGowan Calculated Property |
| Pc | 770.32 | kPa | Joback Calculated Property |
| Inp | [3262.00; 3262.00] |
|
|
| Inp | 3262.00 | NIST | |
| Inp | 3262.00 | NIST | |
| Tboil | 1027.80 | K | Joback Calculated Property |
| Tc | 1270.92 | K | Joback Calculated Property |
| Tfus | 602.28 | K | Joback Calculated Property |
| Vc | 1.579 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1382.17; 1464.51] | J/mol×K | [1027.80; 1270.92] |
|
| Cp,gas | 1382.17 | J/mol×K | 1027.80 | Joback Calculated Property |
| Cp,gas | 1400.49 | J/mol×K | 1068.32 | Joback Calculated Property |
| Cp,gas | 1416.87 | J/mol×K | 1108.84 | Joback Calculated Property |
| Cp,gas | 1431.40 | J/mol×K | 1149.36 | Joback Calculated Property |
| Cp,gas | 1444.13 | J/mol×K | 1189.88 | Joback Calculated Property |
| Cp,gas | 1455.14 | J/mol×K | 1230.40 | Joback Calculated Property |
| Cp,gas | 1464.51 | J/mol×K | 1270.92 | Joback Calculated Property |
Similar Compounds
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Sources
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