- InChI
- InChI=1S/C26H19F6NO5/c1-37-24(36)21(33-22(34)16-4-2-6-18(13-16)25(27,28)29)12-15-8-10-20(11-9-15)38-23(35)17-5-3-7-19(14-17)26(30,31)32/h2-11,13-14,21H,12H2,1H3,(H,33,34)
- InChI Key
- ZYUOSULCYXWEKZ-UHFFFAOYSA-N
- Formula
- C26H19F6NO5
- SMILES
-
COC(=O)C(Cc1ccc(OC(=O)c2cccc(C
(F)(F)F)c2)cc1)NC(=O)c1cccc(C( F)(F)F)c1 - Molecular Weight1
- 539.42
- 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).
- 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 | 1.0396 | Relay (... Calculated Property | |
| ΔfG° | -1196.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1840.57 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 56.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.99 | kJ/mol | Relay (... Calculated Property |
| IE | 8.72 | eV | Relay (... Calculated Property |
| log10WS | -7.00 | Relay (... Calculated Property | |
| logPoct/wat | 5.458 | Crippen Calculated Property | |
| McVol | 342.970 | ml/mol | McGowan Calculated Property |
| Pc | 1255.70 | kPa | Joback Calculated Property |
| Tboil | 736.49 | K | Relay (... Calculated Property |
| Tc | 1052.09 | K | Relay (... Calculated Property |
| Tfus | 399.17 | K | Relay (... Calculated Property |
| Vc | 1.229 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1116.95; 1155.40] | J/mol×K | [1134.60; 1389.18] | 
|
| Cp,gas | 1116.95 | J/mol×K | 1134.60 | Joback Calculated Property |
| Cp,gas | 1125.17 | J/mol×K | 1177.03 | Joback Calculated Property |
| Cp,gas | 1132.45 | J/mol×K | 1219.46 | Joback Calculated Property |
| Cp,gas | 1138.95 | J/mol×K | 1261.89 | Joback Calculated Property |
| Cp,gas | 1144.84 | J/mol×K | 1304.32 | Joback Calculated Property |
| Cp,gas | 1150.27 | J/mol×K | 1346.75 | Joback Calculated Property |
| Cp,gas | 1155.40 | J/mol×K | 1389.18 | Joback Calculated Property |
Similar Compounds
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Sources
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