- InChI
- InChI=1S/C24H17F4NO5/c1-33-23(31)19(29-22(30)20-15(25)4-2-5-16(20)26)12-13-8-10-14(11-9-13)34-24(32)21-17(27)6-3-7-18(21)28/h2-11,19H,12H2,1H3,(H,29,30)
- InChI Key
- OEONJOSRYODGNS-UHFFFAOYSA-N
- Formula
- C24H17F4NO5
- SMILES
-
COC(=O)C(Cc1ccc(OC(=O)c2c(F)cc
cc2F)cc1)NC(=O)c1c(F)cccc1F - Molecular Weight1
- 475.39
- 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 | 0.9922 | Relay (1.0) Calculated Property | |
| ΔfG° | -848.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1211.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.976 | Crippen Calculated Property | |
| McVol | 311.250 | ml/mol | McGowan Calculated Property |
| Pc | 1470.23 | kPa | Joback Calculated Property |
| Tboil | 709.46 | K | Relay (1.0) Calculated Property |
| Tc | 1042.64 | K | Relay (1.0) Calculated Property |
| Tfus | 384.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.111 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [980.23; 996.26] | J/mol×K | [1106.72; 1355.32] | 
|
| Cp,gas | 980.23 | J/mol×K | 1106.72 | Joback Calculated Property |
| Cp,gas | 986.49 | J/mol×K | 1148.15 | Joback Calculated Property |
| Cp,gas | 991.17 | J/mol×K | 1189.59 | Joback Calculated Property |
| Cp,gas | 994.32 | J/mol×K | 1231.02 | Joback Calculated Property |
| Cp,gas | 996.00 | J/mol×K | 1272.45 | Joback Calculated Property |
| Cp,gas | 996.26 | J/mol×K | 1313.89 | Joback Calculated Property |
| Cp,gas | 995.16 | J/mol×K | 1355.32 | Joback Calculated Property |
Similar Compounds
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Sources
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