- InChI
- InChI=1S/C22H28F8O4/c23-18(24)21(27,28)22(29,30)20(25,26)12-34-17(32)3-1-2-16(31)33-5-4-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-15,18H,1-12H2
- InChI Key
- PSBIUOQDAZVVBN-UHFFFAOYSA-N
- Formula
- C22H28F8O4
- SMILES
-
O=C(CCCC(=O)OCC(F)(F)C(F)(F)C(
F)(F)C(F)F)OCCC12CC3CC(CC(C3)C 1)C2 - Molecular Weight1
- 508.44
- 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° | -1728.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2380.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.52 | kJ/mol | Joback Calculated Property |
| log10WS | -6.73 | Crippen Calculated Property | |
| logPoct/wat | 6.021 | Crippen Calculated Property | |
| McVol | 317.300 | ml/mol | McGowan Calculated Property |
| Pc | 1036.57 | kPa | Joback Calculated Property |
| Inp | 2447.00 | NIST | |
| Tboil | 859.43 | K | Joback Calculated Property |
| Tc | 1053.62 | K | Joback Calculated Property |
| Tfus | 548.96 | K | Joback Calculated Property |
| Vc | 1.280 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1108.08; 1215.81] | J/mol×K | [859.43; 1053.62] | 
|
| Cp,gas | 1108.08 | J/mol×K | 859.43 | Joback Calculated Property |
| Cp,gas | 1126.42 | J/mol×K | 891.80 | Joback Calculated Property |
| Cp,gas | 1144.35 | J/mol×K | 924.16 | Joback Calculated Property |
| Cp,gas | 1162.07 | J/mol×K | 956.53 | Joback Calculated Property |
| Cp,gas | 1179.76 | J/mol×K | 988.89 | Joback Calculated Property |
| Cp,gas | 1197.61 | J/mol×K | 1021.26 | Joback Calculated Property |
| Cp,gas | 1215.81 | J/mol×K | 1053.62 | Joback Calculated Property |
Similar Compounds
Sources
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