- InChI
- InChI=1S/C12H16N2O3/c1-3-9-13(4-2)12(15)10-5-7-11(8-6-10)14(16)17/h5-8H,3-4,9H2,1-2H3
- InChI Key
- MEZZOOOCCIIBLN-UHFFFAOYSA-N
- Formula
- C12H16N2O3
- SMILES
-
CCCN(CC)C(=O)c1ccc([N+](=O)[O-
])cc1 - Molecular Weight1
- 236.27
- 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° | 170.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -121.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.62 | kJ/mol | Joback Calculated Property |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 2.467 | Crippen Calculated Property | |
| McVol | 185.150 | ml/mol | McGowan Calculated Property |
| Pc | 2548.19 | kPa | Joback Calculated Property |
| Inp | [2095.00; 2095.00] |
|
|
| Inp | 2095.00 | NIST | |
| Inp | 2095.00 | NIST | |
| Tboil | 723.77 | K | Joback Calculated Property |
| Tc | 951.89 | K | Joback Calculated Property |
| Tfus | 489.95 | K | Joback Calculated Property |
| Vc | 0.706 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [510.96; 579.45] | J/mol×K | [723.77; 951.89] |
|
| Cp,gas | 510.96 | J/mol×K | 723.77 | Joback Calculated Property |
| Cp,gas | 524.73 | J/mol×K | 761.79 | Joback Calculated Property |
| Cp,gas | 537.48 | J/mol×K | 799.81 | Joback Calculated Property |
| Cp,gas | 549.27 | J/mol×K | 837.83 | Joback Calculated Property |
| Cp,gas | 560.15 | J/mol×K | 875.85 | Joback Calculated Property |
| Cp,gas | 570.19 | J/mol×K | 913.87 | Joback Calculated Property |
| Cp,gas | 579.45 | J/mol×K | 951.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-nitro-N-ethyl-N-propyl-.
Sources
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