- InChI
- InChI=1S/C24H35F3O5/c1-2-3-4-11-18-30-22(28)12-9-7-5-6-8-10-13-23(29)31-19-20-14-16-21(17-15-20)32-24(25,26)27/h14-17H,2-13,18-19H2,1H3
- InChI Key
- PPIVQOUXZSTBOX-UHFFFAOYSA-N
- Formula
- C24H35F3O5
- SMILES
-
CCCCCCOC(=O)CCCCCCCCC(=O)OCc1c
cc(OC(F)(F)F)cc1 - Molecular Weight1
- 460.53
- 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° | -900.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1532.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.93 | kJ/mol | Joback Calculated Property |
| log10WS | -8.05 | Crippen Calculated Property | |
| logPoct/wat | 6.873 | Crippen Calculated Property | |
| McVol | 351.320 | ml/mol | McGowan Calculated Property |
| Pc | 948.50 | kPa | Joback Calculated Property |
| Inp | [2598.00; 2598.00] |
|
|
| Inp | 2598.00 | NIST | |
| Inp | 2598.00 | NIST | |
| Tboil | 949.76 | K | Joback Calculated Property |
| Tc | 1163.59 | K | Joback Calculated Property |
| Tfus | 569.92 | K | Joback Calculated Property |
| Vc | 1.381 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1170.07; 1245.49] | J/mol×K | [949.76; 1163.59] |
|
| Cp,gas | 1170.07 | J/mol×K | 949.76 | Joback Calculated Property |
| Cp,gas | 1186.04 | J/mol×K | 985.40 | Joback Calculated Property |
| Cp,gas | 1200.58 | J/mol×K | 1021.04 | Joback Calculated Property |
| Cp,gas | 1213.75 | J/mol×K | 1056.68 | Joback Calculated Property |
| Cp,gas | 1225.59 | J/mol×K | 1092.32 | Joback Calculated Property |
| Cp,gas | 1236.15 | J/mol×K | 1127.95 | Joback Calculated Property |
| Cp,gas | 1245.49 | J/mol×K | 1163.59 | Joback Calculated Property |
Similar Compounds
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Sources
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