- InChI
- InChI=1S/C24H15F6NO5/c1-35-24(34)17(31-22(32)13-6-8-15(25)20(29)18(13)27)10-11-2-4-12(5-3-11)36-23(33)14-7-9-16(26)21(30)19(14)28/h2-9,17H,10H2,1H3,(H,31,32)
- InChI Key
- BBDNFWXBCYKNCP-UHFFFAOYSA-N
- Formula
- C24H15F6NO5
- SMILES
-
COC(=O)C(Cc1ccc(OC(=O)c2ccc(F)
c(F)c2F)cc1)NC(=O)c1ccc(F)c(F) c1F - Molecular Weight1
- 511.37
- 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).
- 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° | -1257.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1640.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.68 | kJ/mol | Joback Calculated Property |
| log10WS | -7.74 | Crippen Calculated Property | |
| logPoct/wat | 4.255 | Crippen Calculated Property | |
| McVol | 314.790 | ml/mol | McGowan Calculated Property |
| Pc | 1343.73 | kPa | Joback Calculated Property |
| Tboil | 1115.22 | K | Joback Calculated Property |
| Tc | 1365.96 | K | Joback Calculated Property |
| Tfus | 762.59 | K | Joback Calculated Property |
| Vc | 1.246 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [988.46; 999.79] | J/mol×K | [1115.22; 1365.96] | 
|
| Cp,gas | 988.46 | J/mol×K | 1115.22 | Joback Calculated Property |
| Cp,gas | 993.81 | J/mol×K | 1157.01 | Joback Calculated Property |
| Cp,gas | 997.46 | J/mol×K | 1198.80 | Joback Calculated Property |
| Cp,gas | 999.44 | J/mol×K | 1240.59 | Joback Calculated Property |
| Cp,gas | 999.79 | J/mol×K | 1282.38 | Joback Calculated Property |
| Cp,gas | 998.53 | J/mol×K | 1324.17 | Joback Calculated Property |
| Cp,gas | 995.72 | J/mol×K | 1365.96 | Joback Calculated Property |
Similar Compounds
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Sources
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