- InChI
- InChI=1S/C23H31F5O5/c1-2-3-4-5-6-7-8-9-10-11-12-32-17(29)14-31-15-18(30)33-13-16-19(24)21(26)23(28)22(27)20(16)25/h2-15H2,1H3
- InChI Key
- QSLMEEUERBWNFJ-UHFFFAOYSA-N
- Formula
- C23H31F5O5
- SMILES
-
CCCCCCCCCCCCOC(=O)COCC(=O)OCc1
c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 482.48
- 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° | -1339.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1941.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.02 | kJ/mol | Joback Calculated Property |
| log10WS | -7.52 | Crippen Calculated Property | |
| logPoct/wat | 5.906 | Crippen Calculated Property | |
| McVol | 340.770 | ml/mol | McGowan Calculated Property |
| Pc | 907.24 | kPa | Joback Calculated Property |
| Inp | [3286.00; 3286.00] |
|
|
| Inp | 3286.00 | NIST | |
| Inp | 3286.00 | NIST | |
| Tboil | 948.57 | K | Joback Calculated Property |
| Tc | 1167.15 | K | Joback Calculated Property |
| Tfus | 607.49 | K | Joback Calculated Property |
| Vc | 1.371 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1119.78; 1188.14] | J/mol×K | [948.57; 1167.15] |
|
| Cp,gas | 1119.78 | J/mol×K | 948.57 | Joback Calculated Property |
| Cp,gas | 1135.20 | J/mol×K | 985.00 | Joback Calculated Property |
| Cp,gas | 1149.01 | J/mol×K | 1021.43 | Joback Calculated Property |
| Cp,gas | 1161.20 | J/mol×K | 1057.86 | Joback Calculated Property |
| Cp,gas | 1171.79 | J/mol×K | 1094.29 | Joback Calculated Property |
| Cp,gas | 1180.77 | J/mol×K | 1130.72 | Joback Calculated Property |
| Cp,gas | 1188.14 | J/mol×K | 1167.15 | Joback Calculated Property |
Similar Compounds
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Sources
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