- InChI
- InChI=1S/C28H22F14O4/c1-3-22(46-20(44)24(31,32)26(35,36)28(40,41)42)11-9-18-17-6-4-13-12-14(5-7-15(13)16(17)8-10-21(18,22)2)45-19(43)23(29,30)25(33,34)27(37,38)39/h1,5,7,12,16-18H,4,6,8-11H2,2H3/t16?,17?,18?,21-,22-/m1/s1
- InChI Key
- JXDGOQVCSYQGEA-VUTDOMMHSA-N
- Formula
- C28H22F14O4
- SMILES
-
C#CC1(OC(=O)C(F)(F)C(F)(F)C(F)
(F)F)CCC2C3CCc4cc(OC(=O)C(F)(F )C(F)(F)C(F)(F)F)ccc4C3CCC21C - Molecular Weight1
- 688.45
- 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° | -2545.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3207.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.64 | kJ/mol | Joback Calculated Property |
| log10WS | -10.36 | Crippen Calculated Property | |
| logPoct/wat | 8.029 | Crippen Calculated Property | |
| McVol | 380.100 | ml/mol | McGowan Calculated Property |
| Pc | 856.47 | kPa | Joback Calculated Property |
| Inp | [2587.00; 2587.00] |
|
|
| Inp | 2587.00 | NIST | |
| Inp | 2587.00 | NIST | |
| Tboil | 1009.68 | K | Joback Calculated Property |
| Tc | 1236.43 | K | Joback Calculated Property |
| Tfus | 756.95 | K | Joback Calculated Property |
| Vc | 1.540 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1381.71; 1581.79] | J/mol×K | [1009.68; 1236.43] |
|
| Cp,gas | 1381.71 | J/mol×K | 1009.68 | Joback Calculated Property |
| Cp,gas | 1408.30 | J/mol×K | 1047.47 | Joback Calculated Property |
| Cp,gas | 1436.96 | J/mol×K | 1085.26 | Joback Calculated Property |
| Cp,gas | 1468.16 | J/mol×K | 1123.05 | Joback Calculated Property |
| Cp,gas | 1502.38 | J/mol×K | 1160.85 | Joback Calculated Property |
| Cp,gas | 1540.10 | J/mol×K | 1198.64 | Joback Calculated Property |
| Cp,gas | 1581.79 | J/mol×K | 1236.43 | Joback Calculated Property |
Similar Compounds
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Sources
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