- InChI
- InChI=1S/C26H38F4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-33-23(31)25(2,3)24(32)34-21-18-16-17-20(22(21)27)26(28,29)30/h16-18H,4-15,19H2,1-3H3
- InChI Key
- USWRWCZNOOHFTR-UHFFFAOYSA-N
- Formula
- C26H38F4O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(C)(C)C(=
O)Oc1cccc(C(F)(F)F)c1F - Molecular Weight1
- 490.57
- 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° | -980.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1657.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.52 | kJ/mol | Joback Calculated Property |
| log10WS | -8.96 | Crippen Calculated Property | |
| logPoct/wat | 8.020 | Crippen Calculated Property | |
| McVol | 375.400 | ml/mol | McGowan Calculated Property |
| Pc | 833.86 | kPa | Joback Calculated Property |
| Inp | 2621.00 | NIST | |
| Tboil | 974.12 | K | Joback Calculated Property |
| Tc | 1194.98 | K | Joback Calculated Property |
| Tfus | 585.76 | K | Joback Calculated Property |
| Vc | 1.482 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1270.24; 1354.28] | J/mol×K | [974.12; 1194.98] | 
|
| Cp,gas | 1270.24 | J/mol×K | 974.12 | Joback Calculated Property |
| Cp,gas | 1287.25 | J/mol×K | 1010.93 | Joback Calculated Property |
| Cp,gas | 1302.94 | J/mol×K | 1047.74 | Joback Calculated Property |
| Cp,gas | 1317.39 | J/mol×K | 1084.55 | Joback Calculated Property |
| Cp,gas | 1330.70 | J/mol×K | 1121.36 | Joback Calculated Property |
| Cp,gas | 1342.97 | J/mol×K | 1158.17 | Joback Calculated Property |
| Cp,gas | 1354.28 | J/mol×K | 1194.98 | Joback Calculated Property |
Similar Compounds
Sources
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