- InChI
- InChI=1S/C17H18N2O3/c1-2-3-5-13-8-10-14(11-9-13)17(20)18-15-6-4-7-16(12-15)19(21)22/h4,6-12H,2-3,5H2,1H3,(H,18,20)
- InChI Key
- VGSKIXNORZMDNL-UHFFFAOYSA-N
- Formula
- C17H18N2O3
- SMILES
-
CCCCc1ccc(C(=O)Nc2cccc([N+](=O
)[O-])c2)cc1 - Molecular Weight1
- 298.34
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -99.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.15 | kJ/mol | Joback Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.190 | Crippen Calculated Property | |
| McVol | 231.840 | ml/mol | McGowan Calculated Property |
| Tboil | 662.19 | K | Relay (1.0) Calculated Property |
| Tfus | 374.88 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [699.17; 758.76] | J/mol×K | [907.76; 1156.04] | 
|
| Cp,gas | 699.17 | J/mol×K | 907.76 | Joback Calculated Property |
| Cp,gas | 711.62 | J/mol×K | 949.14 | Joback Calculated Property |
| Cp,gas | 722.94 | J/mol×K | 990.52 | Joback Calculated Property |
| Cp,gas | 733.22 | J/mol×K | 1031.90 | Joback Calculated Property |
| Cp,gas | 742.56 | J/mol×K | 1073.28 | Joback Calculated Property |
| Cp,gas | 751.04 | J/mol×K | 1114.66 | Joback Calculated Property |
| Cp,gas | 758.76 | J/mol×K | 1156.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-nitrophenyl)-4-butyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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