- InChI
- InChI=1S/C21H31FO4/c1-2-3-4-5-6-7-8-16-25-20(23)10-9-11-21(24)26-17-18-12-14-19(22)15-13-18/h12-15H,2-11,16-17H2,1H3
- InChI Key
- SOUFUIBUMNVFGP-UHFFFAOYSA-N
- Formula
- C21H31FO4
- SMILES
-
CCCCCCCCCOC(=O)CCCC(=O)OCc1ccc
(F)cc1 - Molecular Weight1
- 366.47
- 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° | -433.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -937.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.77 | kJ/mol | Joback Calculated Property |
| log10WS | -6.27 | Crippen Calculated Property | |
| logPoct/wat | 5.333 | Crippen Calculated Property | |
| McVol | 299.640 | ml/mol | McGowan Calculated Property |
| Pc | 1213.20 | kPa | Joback Calculated Property |
| Inp | 2641.00 | NIST | |
| Tboil | 863.39 | K | Joback Calculated Property |
| Tc | 1061.63 | K | Joback Calculated Property |
| Tfus | 510.28 | K | Joback Calculated Property |
| Vc | 1.169 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [944.43; 1023.76] | J/mol×K | [863.39; 1061.63] | 
|
| Cp,gas | 944.43 | J/mol×K | 863.39 | Joback Calculated Property |
| Cp,gas | 960.43 | J/mol×K | 896.43 | Joback Calculated Property |
| Cp,gas | 975.28 | J/mol×K | 929.47 | Joback Calculated Property |
| Cp,gas | 989.02 | J/mol×K | 962.51 | Joback Calculated Property |
| Cp,gas | 1001.66 | J/mol×K | 995.55 | Joback Calculated Property |
| Cp,gas | 1013.24 | J/mol×K | 1028.59 | Joback Calculated Property |
| Cp,gas | 1023.76 | J/mol×K | 1061.63 | Joback Calculated Property |
Similar Compounds
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Sources
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