- InChI
- InChI=1S/C20H32N2O3/c1-3-5-6-7-8-9-10-11-12-17-21(4-2)20(23)18-13-15-19(16-14-18)22(24)25/h13-16H,3-12,17H2,1-2H3
- InChI Key
- NJRUHVPKYFXPDH-UHFFFAOYSA-N
- Formula
- C20H32N2O3
- SMILES
-
CCCCCCCCCCCN(CC)C(=O)c1ccc([N+
](=O)[O-])cc1 - Molecular Weight1
- 348.48
- 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° | 237.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.43 | kJ/mol | Joback Calculated Property |
| log10WS | -6.87 | Crippen Calculated Property | |
| logPoct/wat | 5.588 | Crippen Calculated Property | |
| McVol | 297.870 | ml/mol | McGowan Calculated Property |
| Pc | 1323.28 | kPa | Joback Calculated Property |
| Inp | [3121.00; 3121.00] |
|
|
| Inp | 3121.00 | NIST | |
| Inp | 3121.00 | NIST | |
| Tboil | 906.81 | K | Joback Calculated Property |
| Tc | 1120.43 | K | Joback Calculated Property |
| Tfus | 580.11 | K | Joback Calculated Property |
| Vc | 1.153 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [963.41; 1044.41] | J/mol×K | [906.81; 1120.43] |
|
| Cp,gas | 963.41 | J/mol×K | 906.81 | Joback Calculated Property |
| Cp,gas | 979.34 | J/mol×K | 942.41 | Joback Calculated Property |
| Cp,gas | 994.19 | J/mol×K | 978.02 | Joback Calculated Property |
| Cp,gas | 1008.05 | J/mol×K | 1013.62 | Joback Calculated Property |
| Cp,gas | 1020.99 | J/mol×K | 1049.22 | Joback Calculated Property |
| Cp,gas | 1033.09 | J/mol×K | 1084.83 | Joback Calculated Property |
| Cp,gas | 1044.41 | J/mol×K | 1120.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-nitro-N-ethyl-N-undecyl-.
Sources
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