- InChI
- InChI=1S/C13H7F3N2O3/c14-10-5-4-9(11(15)12(10)16)13(19)17-7-2-1-3-8(6-7)18(20)21/h1-6H,(H,17,19)
- InChI Key
- ATLXDZIKDUZLIH-UHFFFAOYSA-N
- Formula
- C13H7F3N2O3
- SMILES
-
O=C(Nc1cccc([N+](=O)[O-])c1)c1
ccc(F)c(F)c1F - Molecular Weight1
- 296.20
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -343.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -542.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.05 | kJ/mol | Joback Calculated Property |
| log10WS | -5.09 | Crippen Calculated Property | |
| logPoct/wat | 3.264 | Crippen Calculated Property | |
| McVol | 180.790 | ml/mol | McGowan Calculated Property |
| Pc | 2738.28 | kPa | Joback Calculated Property |
| Inp | 2237.00 | NIST | |
| Tboil | 823.81 | K | Joback Calculated Property |
| Tc | 1062.16 | K | Joback Calculated Property |
| Tfus | 587.16 | K | Joback Calculated Property |
| Vc | 0.725 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.86; 542.88] | J/mol×K | [823.81; 1062.16] | 
|
| Cp,gas | 498.86 | J/mol×K | 823.81 | Joback Calculated Property |
| Cp,gas | 508.32 | J/mol×K | 863.54 | Joback Calculated Property |
| Cp,gas | 516.87 | J/mol×K | 903.26 | Joback Calculated Property |
| Cp,gas | 524.55 | J/mol×K | 942.99 | Joback Calculated Property |
| Cp,gas | 531.41 | J/mol×K | 982.71 | Joback Calculated Property |
| Cp,gas | 537.50 | J/mol×K | 1022.44 | Joback Calculated Property |
| Cp,gas | 542.88 | J/mol×K | 1062.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-nitrophenyl)-2,3,4-trifluoro-.
Sources
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