- InChI
- InChI=1S/C23H26F2O4/c1-2-3-4-5-6-9-14-28-22(26)19-10-7-8-11-20(19)23(27)29-16-17-15-18(24)12-13-21(17)25/h7-8,10-13,15H,2-6,9,14,16H2,1H3
- InChI Key
- PSAZRJHLEVHEQF-UHFFFAOYSA-N
- Formula
- C23H26F2O4
- SMILES
-
CCCCCCCCOC(=O)c1ccccc1C(=O)OCc
1cc(F)ccc1F - Molecular Weight1
- 404.45
- 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° | -518.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -961.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.01 | kJ/mol | Joback Calculated Property |
| log10WS | -7.66 | Crippen Calculated Property | |
| logPoct/wat | 5.839 | Crippen Calculated Property | |
| McVol | 305.830 | ml/mol | McGowan Calculated Property |
| Pc | 1269.16 | kPa | Joback Calculated Property |
| Inp | [2639.00; 2639.00] |
|
|
| Inp | 2639.00 | NIST | |
| Inp | 2639.00 | NIST | |
| Tboil | 945.06 | K | Joback Calculated Property |
| Tc | 1161.56 | K | Joback Calculated Property |
| Tfus | 584.87 | K | Joback Calculated Property |
| Vc | 1.192 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [968.92; 1030.89] | J/mol×K | [945.06; 1161.56] |
|
| Cp,gas | 968.92 | J/mol×K | 945.06 | Joback Calculated Property |
| Cp,gas | 982.41 | J/mol×K | 981.14 | Joback Calculated Property |
| Cp,gas | 994.58 | J/mol×K | 1017.23 | Joback Calculated Property |
| Cp,gas | 1005.48 | J/mol×K | 1053.31 | Joback Calculated Property |
| Cp,gas | 1015.14 | J/mol×K | 1089.39 | Joback Calculated Property |
| Cp,gas | 1023.60 | J/mol×K | 1125.48 | Joback Calculated Property |
| Cp,gas | 1030.89 | J/mol×K | 1161.56 | Joback Calculated Property |
Similar Compounds
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Sources
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