- InChI
- InChI=1S/C20H17ClF3NO5/c1-11(26)25(10-20(22,23)24)17-7-4-13(21)8-16(17)19(28)15-6-5-14(30-12(2)27)9-18(15)29-3/h4-9H,10H2,1-3H3
- InChI Key
- DPXXVSWQVAHFIH-UHFFFAOYSA-N
- Formula
- C20H17ClF3NO5
- SMILES
-
COc1cc(OC(C)=O)ccc1C(=O)c1cc(C
l)ccc1N(CC(F)(F)F)C(C)=O - Molecular Weight1
- 443.80
- 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).
- 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 |
|---|---|---|---|
| ω | 0.9609 | Relay (... Calculated Property | |
| ΔfG° | -775.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1363.57 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 50.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.48 | kJ/mol | Relay (... Calculated Property |
| IE | 8.11 | eV | Relay (... Calculated Property |
| log10WS | -4.97 | Relay (... Calculated Property | |
| logPoct/wat | 4.420 | Crippen Calculated Property | |
| McVol | 289.120 | ml/mol | McGowan Calculated Property |
| Pc | 1554.90 | kPa | Joback Calculated Property |
| Inp | 2500.00 | NIST | |
| Tboil | 689.16 | K | Relay (... Calculated Property |
| Tc | 944.93 | K | Relay (... Calculated Property |
| Tfus | 386.28 | K | Relay (... Calculated Property |
| Vc | 1.027 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [870.11; 911.26] | J/mol×K | [981.18; 1208.76] | 
|
| Cp,gas | 870.11 | J/mol×K | 981.18 | Joback Calculated Property |
| Cp,gas | 879.61 | J/mol×K | 1019.11 | Joback Calculated Property |
| Cp,gas | 887.98 | J/mol×K | 1057.04 | Joback Calculated Property |
| Cp,gas | 895.27 | J/mol×K | 1094.97 | Joback Calculated Property |
| Cp,gas | 901.55 | J/mol×K | 1132.90 | Joback Calculated Property |
| Cp,gas | 906.86 | J/mol×K | 1170.83 | Joback Calculated Property |
| Cp,gas | 911.26 | J/mol×K | 1208.76 | Joback Calculated Property |
Similar Compounds
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Sources
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