- InChI
- InChI=1S/C27H55NO/c1-6-8-10-12-14-16-18-20-22-24-28(26(29)27(3,4)5)25-23-21-19-17-15-13-11-9-7-2/h6-25H2,1-5H3
- InChI Key
- ZCJRDYFSTZWJHW-UHFFFAOYSA-N
- Formula
- C27H55NO
- SMILES
-
CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)
C(C)(C)C - Molecular Weight1
- 409.73
- 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 | -719.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.72 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 8.923 | Crippen Calculated Property | |
| McVol | 402.840 | ml/mol | McGowan Calculated Property |
| Inp | [2807.00; 2807.00] |
|
|
| Inp | 2807.00 | NIST | |
| Inp | 2807.00 | NIST | |
| Tboil | 630.17 | K | Relay (1.0) Calculated Property |
| Tfus | 287.83 | 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 | [1361.33; 1485.25] | J/mol×K | [880.24; 1078.67] |
|
| Cp,gas | 1361.33 | J/mol×K | 880.24 | Joback Calculated Property |
| Cp,gas | 1384.89 | J/mol×K | 913.31 | Joback Calculated Property |
| Cp,gas | 1407.17 | J/mol×K | 946.38 | Joback Calculated Property |
| Cp,gas | 1428.26 | J/mol×K | 979.45 | Joback Calculated Property |
| Cp,gas | 1448.24 | J/mol×K | 1012.52 | Joback Calculated Property |
| Cp,gas | 1467.21 | J/mol×K | 1045.60 | Joback Calculated Property |
| Cp,gas | 1485.25 | J/mol×K | 1078.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-diundecyl-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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