- InChI
- InChI=1S/C22H30F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-33-17(31)13-14-18(32)34-16-20(25,26)22(29,30)21(27,28)19(23)24/h19H,2-10,13-16H2,1H3
- InChI Key
- ACAIGXGTUJPVNS-UHFFFAOYSA-N
- Formula
- C22H30F8O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCC(=O)OCC
(F)(F)C(F)(F)C(F)(F)C(F)F - Molecular Weight1
- 510.46
- 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 | 1.0169 | Relay (... Calculated Property | |
| ΔfG° | -1683.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2394.90 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 60.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.56 | kJ/mol | Relay (... Calculated Property |
| IE | 9.85 | eV | Relay (... Calculated Property |
| log10WS | -7.90 | Relay (... Calculated Property | |
| logPoct/wat | 6.558 | Crippen Calculated Property | |
| McVol | 341.280 | ml/mol | McGowan Calculated Property |
| Pc | 878.96 | kPa | Joback Calculated Property |
| Inp | [2350.00; 2350.00] |
|
|
| Inp | 2350.00 | NIST | |
| Inp | 2350.00 | NIST | |
| Tboil | 613.89 | K | Relay (... Calculated Property |
| Tc | 759.49 | K | Relay (... Calculated Property |
| Tfus | 310.10 | K | Relay (... Calculated Property |
| Vc | 1.263 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1101.63; 1184.10] | J/mol×K | [848.37; 1038.98] |
|
| Cp,gas | 1101.63 | J/mol×K | 848.37 | Joback Calculated Property |
| Cp,gas | 1117.74 | J/mol×K | 880.14 | Joback Calculated Property |
| Cp,gas | 1132.82 | J/mol×K | 911.91 | Joback Calculated Property |
| Cp,gas | 1146.92 | J/mol×K | 943.67 | Joback Calculated Property |
| Cp,gas | 1160.12 | J/mol×K | 975.44 | Joback Calculated Property |
| Cp,gas | 1172.49 | J/mol×K | 1007.21 | Joback Calculated Property |
| Cp,gas | 1184.10 | J/mol×K | 1038.98 | Joback Calculated Property |
Similar Compounds
Sources
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