- InChI
- InChI=1S/C20H22F3NO4/c1-5-27-18(25)15-11(3)24-12(4)16(19(26)28-6-2)17(15)13-9-7-8-10-14(13)20(21,22)23/h7-10,17,24H,5-6H2,1-4H3
- InChI Key
- ACZJZGLXRPZSLI-UHFFFAOYSA-N
- Formula
- C20H22F3NO4
- SMILES
-
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC
C)C1c1ccccc1C(F)(F)F - Molecular Weight1
- 397.39
- CAS
- 23191-75-5
- 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° | -695.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1155.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.04 | kJ/mol | Joback Calculated Property |
| log10WS | -5.45 | Crippen Calculated Property | |
| logPoct/wat | 4.066 | Crippen Calculated Property | |
| McVol | 279.610 | ml/mol | McGowan Calculated Property |
| Pc | 1474.75 | kPa | Joback Calculated Property |
| Tboil | 922.16 | K | Joback Calculated Property |
| Tc | 1141.57 | K | Joback Calculated Property |
| Tfus | 666.62 | K | Joback Calculated Property |
| Vc | 1.081 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [883.13; 940.35] | J/mol×K | [922.16; 1141.57] | 
|
| Cp,gas | 883.13 | J/mol×K | 922.16 | Joback Calculated Property |
| Cp,gas | 895.96 | J/mol×K | 958.73 | Joback Calculated Property |
| Cp,gas | 907.45 | J/mol×K | 995.30 | Joback Calculated Property |
| Cp,gas | 917.61 | J/mol×K | 1031.86 | Joback Calculated Property |
| Cp,gas | 926.47 | J/mol×K | 1068.43 | Joback Calculated Property |
| Cp,gas | 934.04 | J/mol×K | 1105.00 | Joback Calculated Property |
| Cp,gas | 940.35 | J/mol×K | 1141.57 | Joback Calculated Property |
Similar Compounds
Sources
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