- InChI
- InChI=1S/C21H34N2O3/c1-3-5-6-7-8-9-10-11-12-13-18-22(4-2)21(24)19-14-16-20(17-15-19)23(25)26/h14-17H,3-13,18H2,1-2H3
- InChI Key
- ALQDBMBOCXVQOK-UHFFFAOYSA-N
- Formula
- C21H34N2O3
- SMILES
-
CCCCCCCCCCCCN(CC)C(=O)c1ccc([N
+](=O)[O-])cc1 - Molecular Weight1
- 362.51
- 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° | 246.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -307.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.66 | kJ/mol | Joback Calculated Property |
| log10WS | -7.29 | Crippen Calculated Property | |
| logPoct/wat | 5.978 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1235.48 | kPa | Joback Calculated Property |
| Inp | [3337.00; 3337.00] |
|
|
| Inp | 3337.00 | NIST | |
| Inp | 3337.00 | NIST | |
| Tboil | 929.69 | K | Joback Calculated Property |
| Tc | 1144.59 | K | Joback Calculated Property |
| Tfus | 591.38 | K | Joback Calculated Property |
| Vc | 1.210 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1023.73; 1106.10] | J/mol×K | [929.69; 1144.59] |
|
| Cp,gas | 1023.73 | J/mol×K | 929.69 | Joback Calculated Property |
| Cp,gas | 1039.90 | J/mol×K | 965.51 | Joback Calculated Property |
| Cp,gas | 1054.99 | J/mol×K | 1001.32 | Joback Calculated Property |
| Cp,gas | 1069.08 | J/mol×K | 1037.14 | Joback Calculated Property |
| Cp,gas | 1082.24 | J/mol×K | 1072.95 | Joback Calculated Property |
| Cp,gas | 1094.55 | J/mol×K | 1108.77 | Joback Calculated Property |
| Cp,gas | 1106.10 | J/mol×K | 1144.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-nitro-N-ethyl-N-dodecyl-.
Sources
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