- InChI
- InChI=1S/C21H34ClNO/c1-3-5-7-9-11-17-23(18-12-10-8-6-4-2)21(24)19-13-15-20(22)16-14-19/h13-16H,3-12,17-18H2,1-2H3
- InChI Key
- WLIIKSWZVDTDSF-UHFFFAOYSA-N
- Formula
- C21H34ClNO
- SMILES
-
CCCCCCCN(CCCCCCC)C(=O)c1ccc(Cl
)cc1 - Molecular Weight1
- 351.96
- 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° | 52.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.723 | Crippen Calculated Property | |
| McVol | 306.780 | ml/mol | McGowan Calculated Property |
| Inp | [2475.00; 2475.00] |
|
|
| Inp | 2475.00 | NIST | |
| Inp | 2475.00 | NIST | |
| Tboil | 655.47 | K | Relay (1.0) Calculated Property |
| Tfus | 300.54 | 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 | [928.63; 1020.81] | J/mol×K | [815.48; 1010.93] |
|
| Cp,gas | 928.63 | J/mol×K | 815.48 | Joback Calculated Property |
| Cp,gas | 946.42 | J/mol×K | 848.05 | Joback Calculated Property |
| Cp,gas | 963.16 | J/mol×K | 880.63 | Joback Calculated Property |
| Cp,gas | 978.91 | J/mol×K | 913.20 | Joback Calculated Property |
| Cp,gas | 993.73 | J/mol×K | 945.78 | Joback Calculated Property |
| Cp,gas | 1007.68 | J/mol×K | 978.35 | Joback Calculated Property |
| Cp,gas | 1020.81 | J/mol×K | 1010.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-diheptyl-4-chloro-.
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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