- InChI
- InChI=1S/C28H34F4O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-35-27(33)21-15-12-13-16-22(21)28(34)36-19-20-18-23(29)25(31)26(32)24(20)30/h12-13,15-16,18H,2-11,14,17,19H2,1H3
- InChI Key
- FFKRZVYPLGPNQJ-UHFFFAOYSA-N
- Formula
- C28H34F4O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=
O)OCc1cc(F)c(F)c(F)c1F - Molecular Weight1
- 510.56
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.2709 | Relay (... Calculated Property | |
| ΔfG° | -885.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1403.10 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 72.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.87 | kJ/mol | Relay (... Calculated Property |
| IE | 9.22 | eV | Relay (... Calculated Property |
| log10WS | -9.26 | Relay (... Calculated Property | |
| logPoct/wat | 8.068 | Crippen Calculated Property | |
| McVol | 379.820 | ml/mol | McGowan Calculated Property |
| Pc | 861.50 | kPa | Joback Calculated Property |
| Inp | 3126.00 | NIST | |
| Tboil | 702.23 | K | Relay (... Calculated Property |
| Tc | 920.40 | K | Relay (... Calculated Property |
| Tfus | 304.57 | K | Relay (... Calculated Property |
| Vc | 1.421 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1281.93; 1337.44] | J/mol×K | [1067.96; 1315.93] | 
|
| Cp,gas | 1281.93 | J/mol×K | 1067.96 | Joback Calculated Property |
| Cp,gas | 1295.73 | J/mol×K | 1109.29 | Joback Calculated Property |
| Cp,gas | 1307.63 | J/mol×K | 1150.62 | Joback Calculated Property |
| Cp,gas | 1317.69 | J/mol×K | 1191.94 | Joback Calculated Property |
| Cp,gas | 1325.97 | J/mol×K | 1233.27 | Joback Calculated Property |
| Cp,gas | 1332.53 | J/mol×K | 1274.60 | Joback Calculated Property |
| Cp,gas | 1337.44 | J/mol×K | 1315.93 | Joback Calculated Property |
Similar Compounds
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Sources
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