- 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).
- 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° | 293.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -13.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.09 | kJ/mol | Joback Calculated Property |
| log10WS | -5.74 | Crippen Calculated Property | |
| logPoct/wat | 4.190 | Crippen Calculated Property | |
| McVol | 231.840 | ml/mol | McGowan Calculated Property |
| Pc | 2204.15 | kPa | Joback Calculated Property |
| Tboil | 907.56 | K | Joback Calculated Property |
| Tc | 1155.79 | K | Joback Calculated Property |
| Tfus | 605.43 | K | Joback Calculated Property |
| Vc | 0.894 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [699.10; 758.71] | J/mol×K | [907.56; 1155.79] | 
|
| Cp,gas | 699.10 | J/mol×K | 907.56 | Joback Calculated Property |
| Cp,gas | 711.56 | J/mol×K | 948.93 | Joback Calculated Property |
| Cp,gas | 722.88 | J/mol×K | 990.30 | Joback Calculated Property |
| Cp,gas | 733.17 | J/mol×K | 1031.68 | Joback Calculated Property |
| Cp,gas | 742.51 | J/mol×K | 1073.05 | Joback Calculated Property |
| Cp,gas | 750.99 | J/mol×K | 1114.42 | Joback Calculated Property |
| Cp,gas | 758.71 | J/mol×K | 1155.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-nitrophenyl)-4-butyl-.
Sources
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