- InChI
- InChI=1S/C22H12F21NO6/c1-44(11(45)14(23,24)17(29,30)20(35,36)37)6-10(50-13(47)16(27,28)19(33,34)22(41,42)43)7-3-4-8(9(5-7)48-2)49-12(46)15(25,26)18(31,32)21(38,39)40/h3-5,10H,6H2,1-2H3
- InChI Key
- DQVQZQMDDNPFGN-UHFFFAOYSA-N
- Formula
- C22H12F21NO6
- SMILES
-
COc1cc(C(CN(C)C(=O)C(F)(F)C(F)
(F)C(F)(F)F)OC(=O)C(F)(F)C(F)( F)C(F)(F)F)ccc1OC(=O)C(F)(F)C( F)(F)C(F)(F)F - Molecular Weight1
- 785.30
- 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° | -4431.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -5153.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.47 | kJ/mol | Joback Calculated Property |
| log10WS | -8.85 | Crippen Calculated Property | |
| logPoct/wat | 7.142 | Crippen Calculated Property | |
| McVol | 366.550 | ml/mol | McGowan Calculated Property |
| Pc | 746.92 | kPa | Joback Calculated Property |
| Inp | 1715.00 | NIST | |
| Tboil | 935.87 | K | Joback Calculated Property |
| Tc | 1167.46 | K | Joback Calculated Property |
| Tfus | 657.28 | K | Joback Calculated Property |
| Vc | 1.522 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1234.50; 1296.09] | J/mol×K | [935.87; 1167.46] | 
|
| Cp,gas | 1234.50 | J/mol×K | 935.87 | Joback Calculated Property |
| Cp,gas | 1245.61 | J/mol×K | 974.47 | Joback Calculated Property |
| Cp,gas | 1255.99 | J/mol×K | 1013.07 | Joback Calculated Property |
| Cp,gas | 1265.95 | J/mol×K | 1051.67 | Joback Calculated Property |
| Cp,gas | 1275.75 | J/mol×K | 1090.26 | Joback Calculated Property |
| Cp,gas | 1285.70 | J/mol×K | 1128.86 | Joback Calculated Property |
| Cp,gas | 1296.09 | J/mol×K | 1167.46 | Joback Calculated Property |
Similar Compounds
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Sources
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