- InChI
- InChI=1S/C27H46ClNO/c1-3-5-7-9-11-13-15-17-23-29(24-18-16-14-12-10-8-6-4-2)27(30)25-19-21-26(28)22-20-25/h19-22H,3-18,23-24H2,1-2H3
- InChI Key
- BBQCMDYVIAOYJI-UHFFFAOYSA-N
- Formula
- C27H46ClNO
- SMILES
-
CCCCCCCCCCN(CCCCCCCCCC)C(=O)c1
ccc(Cl)cc1 - Molecular Weight1
- 436.11
- 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° | 68.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 9.064 | Crippen Calculated Property | |
| McVol | 391.320 | ml/mol | McGowan Calculated Property |
| Inp | [3148.00; 3148.00] |
|
|
| Inp | 3148.00 | NIST | |
| Inp | 3148.00 | NIST | |
| Tboil | 694.37 | K | Relay (1.0) Calculated Property |
| Tfus | 314.64 | 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 | [1299.88; 1402.74] | J/mol×K | [952.76; 1166.68] |
|
| Cp,gas | 1299.88 | J/mol×K | 952.76 | Joback Calculated Property |
| Cp,gas | 1319.83 | J/mol×K | 988.41 | Joback Calculated Property |
| Cp,gas | 1338.53 | J/mol×K | 1024.07 | Joback Calculated Property |
| Cp,gas | 1356.08 | J/mol×K | 1059.72 | Joback Calculated Property |
| Cp,gas | 1372.57 | J/mol×K | 1095.37 | Joback Calculated Property |
| Cp,gas | 1388.09 | J/mol×K | 1131.02 | Joback Calculated Property |
| Cp,gas | 1402.74 | J/mol×K | 1166.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-didecyl-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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