- InChI
- InChI=1S/C13H18N2O3/c1-4-14(9-10(2)3)13(16)11-5-7-12(8-6-11)15(17)18/h5-8,10H,4,9H2,1-3H3
- InChI Key
- PTYTUOSZTQYFEG-UHFFFAOYSA-N
- Formula
- C13H18N2O3
- SMILES
-
CCN(CC(C)C)C(=O)c1ccc([N+](=O)
[O-])cc1 - Molecular Weight1
- 250.29
- 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° | 176.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -147.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.46 | kJ/mol | Joback Calculated Property |
| log10WS | -3.70 | Crippen Calculated Property | |
| logPoct/wat | 2.713 | Crippen Calculated Property | |
| McVol | 199.240 | ml/mol | McGowan Calculated Property |
| Pc | 2336.03 | kPa | Joback Calculated Property |
| Inp | [2135.00; 2135.00] |
|
|
| Inp | 2135.00 | NIST | |
| Inp | 2135.00 | NIST | |
| Tboil | 746.21 | K | Joback Calculated Property |
| Tc | 974.51 | K | Joback Calculated Property |
| Tfus | 486.22 | K | Joback Calculated Property |
| Vc | 0.755 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.60; 636.21] | J/mol×K | [746.21; 974.51] |
|
| Cp,gas | 564.60 | J/mol×K | 746.21 | Joback Calculated Property |
| Cp,gas | 579.02 | J/mol×K | 784.26 | Joback Calculated Property |
| Cp,gas | 592.36 | J/mol×K | 822.31 | Joback Calculated Property |
| Cp,gas | 604.68 | J/mol×K | 860.36 | Joback Calculated Property |
| Cp,gas | 616.06 | J/mol×K | 898.41 | Joback Calculated Property |
| Cp,gas | 626.55 | J/mol×K | 936.46 | Joback Calculated Property |
| Cp,gas | 636.21 | J/mol×K | 974.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-nitro-N-ethyl-N-isobutyl-.
Sources
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