- InChI
- InChI=1S/C22H37NO/c1-4-6-8-10-12-18-23(19-13-11-9-7-5-2)22(24)21-16-14-20(3)15-17-21/h14-17H,4-13,18-19H2,1-3H3
- InChI Key
- TWRFQRPCDUFJKS-UHFFFAOYSA-N
- Formula
- C22H37NO
- SMILES
-
CCCCCCCN(CCCCCCC)C(=O)c1ccc(C)
cc1 - Molecular Weight1
- 331.54
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 51.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.378 | Crippen Calculated Property | |
| McVol | 308.630 | ml/mol | McGowan Calculated Property |
| Inp | [2466.00; 2466.00] |
|
|
| Inp | 2466.00 | NIST | |
| Inp | 2466.00 | NIST | |
| Tboil | 655.93 | K | Relay (1.0) Calculated Property |
| Tfus | 299.28 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [956.87; 1056.37] | J/mol×K | [800.93; 992.01] |
|
| Cp,gas | 956.87 | J/mol×K | 800.93 | Joback Calculated Property |
| Cp,gas | 975.97 | J/mol×K | 832.78 | Joback Calculated Property |
| Cp,gas | 994.00 | J/mol×K | 864.62 | Joback Calculated Property |
| Cp,gas | 1010.99 | J/mol×K | 896.47 | Joback Calculated Property |
| Cp,gas | 1027.02 | J/mol×K | 928.32 | Joback Calculated Property |
| Cp,gas | 1042.13 | J/mol×K | 960.17 | Joback Calculated Property |
| Cp,gas | 1056.37 | J/mol×K | 992.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-diheptyl-4-methyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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