- InChI
- InChI=1S/C20H41NO/c1-6-8-10-12-14-16-18-21(19(22)20(3,4)5)17-15-13-11-9-7-2/h6-18H2,1-5H3
- InChI Key
- CBOCKIPUKOQCTH-UHFFFAOYSA-N
- Formula
- C20H41NO
- SMILES
-
CCCCCCCCN(CCCCCCC)C(=O)C(C)(C)
C - Molecular Weight1
- 311.55
- 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 | -571.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.63 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.192 | Crippen Calculated Property | |
| McVol | 304.210 | ml/mol | McGowan Calculated Property |
| Inp | [2110.00; 2110.00] |
|
|
| Inp | 2110.00 | NIST | |
| Inp | 2110.00 | NIST | |
| Tboil | 582.06 | K | Relay (1.0) Calculated Property |
| Tfus | 251.30 | 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 | [920.19; 1027.88] | J/mol×K | [720.28; 893.82] |
|
| Cp,gas | 920.19 | J/mol×K | 720.28 | Joback Calculated Property |
| Cp,gas | 940.47 | J/mol×K | 749.20 | Joback Calculated Property |
| Cp,gas | 959.75 | J/mol×K | 778.13 | Joback Calculated Property |
| Cp,gas | 978.09 | J/mol×K | 807.05 | Joback Calculated Property |
| Cp,gas | 995.52 | J/mol×K | 835.97 | Joback Calculated Property |
| Cp,gas | 1012.10 | J/mol×K | 864.90 | Joback Calculated Property |
| Cp,gas | 1027.88 | J/mol×K | 893.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-heptyl-N-octyl-2,2-dimethyl-.
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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