- InChI
- InChI=1S/C18H28N2O3/c1-3-5-6-7-8-9-10-15-19(4-2)18(21)16-11-13-17(14-12-16)20(22)23/h11-14H,3-10,15H2,1-2H3
- InChI Key
- MTXMXQYNYDCBIB-UHFFFAOYSA-N
- Formula
- C18H28N2O3
- SMILES
-
CCCCCCCCCN(CC)C(=O)c1ccc([N+](
=O)[O-])cc1 - Molecular Weight1
- 320.43
- 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° | 220.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -245.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.98 | kJ/mol | Joback Calculated Property |
| log10WS | -6.03 | Crippen Calculated Property | |
| logPoct/wat | 4.808 | Crippen Calculated Property | |
| McVol | 269.690 | ml/mol | McGowan Calculated Property |
| Pc | 1529.46 | kPa | Joback Calculated Property |
| Inp | [2806.00; 2806.00] |
|
|
| Inp | 2806.00 | NIST | |
| Inp | 2806.00 | NIST | |
| Tboil | 861.05 | K | Joback Calculated Property |
| Tc | 1074.46 | K | Joback Calculated Property |
| Tfus | 557.57 | K | Joback Calculated Property |
| Vc | 1.042 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [844.95; 923.40] | J/mol×K | [861.05; 1074.46] |
|
| Cp,gas | 844.95 | J/mol×K | 861.05 | Joback Calculated Property |
| Cp,gas | 860.42 | J/mol×K | 896.62 | Joback Calculated Property |
| Cp,gas | 874.84 | J/mol×K | 932.19 | Joback Calculated Property |
| Cp,gas | 888.28 | J/mol×K | 967.75 | Joback Calculated Property |
| Cp,gas | 900.81 | J/mol×K | 1003.32 | Joback Calculated Property |
| Cp,gas | 912.50 | J/mol×K | 1038.89 | Joback Calculated Property |
| Cp,gas | 923.40 | J/mol×K | 1074.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-nitro-N-ethyl-N-nonyl-.
Sources
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