- InChI
- InChI=1S/C21H20F2N2O4/c1-12(26)18(20(28)24-16-7-3-14(22)4-8-16)11-19(13(2)27)21(29)25-17-9-5-15(23)6-10-17/h3-10,18-19H,11H2,1-2H3,(H,24,28)(H,25,29)
- InChI Key
- NGEIWFJRFMSXKY-UHFFFAOYSA-N
- Formula
- C21H20F2N2O4
- SMILES
-
CC(=O)C(CC(C(C)=O)C(=O)Nc1ccc(
F)cc1)C(=O)Nc1ccc(F)cc1 - Molecular Weight1
- 402.39
- CAS
- 807-75-0
- 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° | -399.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -772.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.66 | kJ/mol | Joback Calculated Property |
| log10WS | -4.36 | Crippen Calculated Property | |
| logPoct/wat | 3.342 | Crippen Calculated Property | |
| McVol | 289.010 | ml/mol | McGowan Calculated Property |
| Pc | 1739.01 | kPa | Joback Calculated Property |
| Tboil | 1056.68 | K | Joback Calculated Property |
| Tc | 1297.12 | K | Joback Calculated Property |
| Tfus | 680.53 | K | Joback Calculated Property |
| Vc | 1.113 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [919.62; 960.07] | J/mol×K | [1056.68; 1297.12] | 
|
| Cp,gas | 919.62 | J/mol×K | 1056.68 | Joback Calculated Property |
| Cp,gas | 928.75 | J/mol×K | 1096.75 | Joback Calculated Property |
| Cp,gas | 936.81 | J/mol×K | 1136.83 | Joback Calculated Property |
| Cp,gas | 943.87 | J/mol×K | 1176.90 | Joback Calculated Property |
| Cp,gas | 950.05 | J/mol×K | 1216.97 | Joback Calculated Property |
| Cp,gas | 955.42 | J/mol×K | 1257.05 | Joback Calculated Property |
| Cp,gas | 960.07 | J/mol×K | 1297.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Alpha,alpha'-diacetyl-4,4'-difluoro-glutaranilide.
Sources
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