- InChI
- InChI=1S/C21H35NO/c1-5-9-11-19(8-4)17-22(16-10-6-2)21(23)20-14-12-18(7-3)13-15-20/h12-15,19H,5-11,16-17H2,1-4H3
- InChI Key
- YGEZUWMXCWXCED-UHFFFAOYSA-N
- Formula
- C21H35NO
- SMILES
-
CCCCC(CC)CN(CCCC)C(=O)c1ccc(CC
)cc1 - Molecular Weight1
- 317.51
- 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° | 208.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.68 | kJ/mol | Joback Calculated Property |
| log10WS | -6.36 | Crippen Calculated Property | |
| logPoct/wat | 5.708 | Crippen Calculated Property | |
| McVol | 294.540 | ml/mol | McGowan Calculated Property |
| Pc | 1232.01 | kPa | Joback Calculated Property |
| Inp | [2993.00; 2993.00] |
|
|
| Inp | 2993.00 | NIST | |
| Inp | 2993.00 | NIST | |
| Tboil | 777.41 | K | Joback Calculated Property |
| Tc | 969.82 | K | Joback Calculated Property |
| Tfus | 432.77 | K | Joback Calculated Property |
| Vc | 1.121 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [897.13; 996.21] | J/mol×K | [777.41; 969.82] |
|
| Cp,gas | 897.13 | J/mol×K | 777.41 | Joback Calculated Property |
| Cp,gas | 916.20 | J/mol×K | 809.48 | Joback Calculated Property |
| Cp,gas | 934.17 | J/mol×K | 841.55 | Joback Calculated Property |
| Cp,gas | 951.11 | J/mol×K | 873.61 | Joback Calculated Property |
| Cp,gas | 967.06 | J/mol×K | 905.68 | Joback Calculated Property |
| Cp,gas | 982.08 | J/mol×K | 937.75 | Joback Calculated Property |
| Cp,gas | 996.21 | J/mol×K | 969.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-ethyl-N-butyl-N-2-ethylhexyl-.
Sources
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