- InChI
- InChI=1S/C31H42F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-36-30(34)27-18-15-16-19-28(27)31(35)37-24-25-23-26(32)20-21-29(25)33/h15-16,18-21,23H,2-14,17,22,24H2,1H3
- InChI Key
- NIMSNKQNNJDZNH-UHFFFAOYSA-N
- Formula
- C31H42F2O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)c1ccccc1
C(=O)OCc1cc(F)ccc1F - Molecular Weight1
- 516.66
- 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° | -451.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1126.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 74.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.82 | kJ/mol | Joback Calculated Property |
| log10WS | -11.01 | Crippen Calculated Property | |
| logPoct/wat | 8.960 | Crippen Calculated Property | |
| McVol | 418.550 | ml/mol | McGowan Calculated Property |
| Pc | 782.43 | kPa | Joback Calculated Property |
| Inp | 3454.00 | NIST | |
| Tboil | 1128.10 | K | Joback Calculated Property |
| Tc | 1396.44 | K | Joback Calculated Property |
| Tfus | 675.03 | K | Joback Calculated Property |
| Vc | 1.639 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1457.08; 1516.75] | J/mol×K | [1128.10; 1396.44] | 
|
| Cp,gas | 1457.08 | J/mol×K | 1128.10 | Joback Calculated Property |
| Cp,gas | 1471.96 | J/mol×K | 1172.82 | Joback Calculated Property |
| Cp,gas | 1484.71 | J/mol×K | 1217.55 | Joback Calculated Property |
| Cp,gas | 1495.44 | J/mol×K | 1262.27 | Joback Calculated Property |
| Cp,gas | 1504.28 | J/mol×K | 1307.00 | Joback Calculated Property |
| Cp,gas | 1511.35 | J/mol×K | 1351.72 | Joback Calculated Property |
| Cp,gas | 1516.75 | J/mol×K | 1396.44 | Joback Calculated Property |
Similar Compounds
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Sources
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