- InChI
- InChI=1S/C12H10F2N2O7/c13-6-4-9(16(22)23)7(14)3-5(6)11(19)15-8(12(20)21)1-2-10(17)18/h3-4,8H,1-2H2,(H,15,19)(H,17,18)(H,20,21)
- InChI Key
- SVQAWECNXJIAHF-UHFFFAOYSA-N
- Formula
- C12H10F2N2O7
- SMILES
-
O=C(O)CCC(NC(=O)c1cc(F)c([N+](
=O)[O-])cc1F)C(=O)O - Molecular Weight1
- 332.21
- 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° | -793.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1085.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.17 | kJ/mol | Joback Calculated Property |
| log10WS | -3.11 | Crippen Calculated Property | |
| logPoct/wat | 0.921 | Crippen Calculated Property | |
| McVol | 203.570 | ml/mol | McGowan Calculated Property |
| Pc | 3199.16 | kPa | Joback Calculated Property |
| Tboil | 1061.66 | K | Joback Calculated Property |
| Tc | 1299.78 | K | Joback Calculated Property |
| Tfus | 742.86 | K | Joback Calculated Property |
| Vc | 0.802 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [622.39; 641.83] | J/mol×K | [1061.66; 1299.78] | 
|
| Cp,gas | 622.39 | J/mol×K | 1061.66 | Joback Calculated Property |
| Cp,gas | 627.41 | J/mol×K | 1101.35 | Joback Calculated Property |
| Cp,gas | 631.66 | J/mol×K | 1141.03 | Joback Calculated Property |
| Cp,gas | 635.18 | J/mol×K | 1180.72 | Joback Calculated Property |
| Cp,gas | 638.02 | J/mol×K | 1220.41 | Joback Calculated Property |
| Cp,gas | 640.22 | J/mol×K | 1260.10 | Joback Calculated Property |
| Cp,gas | 641.83 | J/mol×K | 1299.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutamic acid, n-(2,5-difluoro-4-nitrobenzoyl)-.
Sources
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