- InChI
- InChI=1S/C15H14N2O3/c1-2-11-6-8-12(9-7-11)15(18)16-13-4-3-5-14(10-13)17(19)20/h3-10H,2H2,1H3,(H,16,18)
- InChI Key
- SHAHXQBIXURWFV-UHFFFAOYSA-N
- Formula
- C15H14N2O3
- SMILES
-
CCc1ccc(C(=O)Nc2cccc([N+](=O)[
O-])c2)cc1 - Molecular Weight1
- 270.28
- 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° | 277.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 27.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.63 | kJ/mol | Joback Calculated Property |
| log10WS | -4.90 | Crippen Calculated Property | |
| logPoct/wat | 3.410 | Crippen Calculated Property | |
| McVol | 203.660 | ml/mol | McGowan Calculated Property |
| Pc | 2662.52 | kPa | Joback Calculated Property |
| Inp | 2651.00 | NIST | |
| Tboil | 861.80 | K | Joback Calculated Property |
| Tc | 1118.69 | K | Joback Calculated Property |
| Tfus | 582.89 | K | Joback Calculated Property |
| Vc | 0.782 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [587.55; 643.93] | J/mol×K | [861.80; 1118.69] | 
|
| Cp,gas | 587.55 | J/mol×K | 861.80 | Joback Calculated Property |
| Cp,gas | 599.53 | J/mol×K | 904.61 | Joback Calculated Property |
| Cp,gas | 610.35 | J/mol×K | 947.43 | Joback Calculated Property |
| Cp,gas | 620.12 | J/mol×K | 990.24 | Joback Calculated Property |
| Cp,gas | 628.91 | J/mol×K | 1033.06 | Joback Calculated Property |
| Cp,gas | 636.82 | J/mol×K | 1075.87 | Joback Calculated Property |
| Cp,gas | 643.93 | J/mol×K | 1118.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-nitrophenyl)-4-ethyl-.
Sources
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