- InChI
- InChI=1S/C22H45NO/c1-5-7-9-11-13-15-17-19-23(22(24)21(3)4)20-18-16-14-12-10-8-6-2/h21H,5-20H2,1-4H3
- InChI Key
- KPJYYRFCGJJJLR-UHFFFAOYSA-N
- Formula
- C22H45NO
- SMILES
-
CCCCCCCCCN(CCCCCCCCC)C(=O)C(C)
C - Molecular Weight1
- 339.61
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | -619.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.23 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.972 | Crippen Calculated Property | |
| McVol | 332.390 | ml/mol | McGowan Calculated Property |
| Inp | [2355.00; 2355.00] |
|
|
| Inp | 2355.00 | NIST | |
| Inp | 2355.00 | NIST | |
| Tboil | 600.07 | K | Relay (1.0) Calculated Property |
| Tfus | 297.83 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [1041.77; 1153.25] | J/mol×K | [768.83; 944.44] |
|
| Cp,gas | 1041.77 | J/mol×K | 768.83 | Joback Calculated Property |
| Cp,gas | 1062.80 | J/mol×K | 798.10 | Joback Calculated Property |
| Cp,gas | 1082.79 | J/mol×K | 827.37 | Joback Calculated Property |
| Cp,gas | 1101.79 | J/mol×K | 856.63 | Joback Calculated Property |
| Cp,gas | 1119.84 | J/mol×K | 885.90 | Joback Calculated Property |
| Cp,gas | 1136.98 | J/mol×K | 915.17 | Joback Calculated Property |
| Cp,gas | 1153.25 | J/mol×K | 944.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-dinonyl-2-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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