- InChI
- InChI=1S/C25H50ClNO/c1-4-6-8-10-12-14-16-18-20-22-27(25(28)24(3)26)23-21-19-17-15-13-11-9-7-5-2/h24H,4-23H2,1-3H3
- InChI Key
- USMDOBCIJVLEJB-UHFFFAOYSA-N
- Formula
- C25H50ClNO
- SMILES
-
CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)
C(C)Cl - Molecular Weight1
- 416.13
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -726.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.59 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 8.504 | Crippen Calculated Property | |
| McVol | 386.900 | ml/mol | McGowan Calculated Property |
| Inp | [2877.00; 2877.00] |
|
|
| Inp | 2877.00 | NIST | |
| Inp | 2877.00 | NIST | |
| Tboil | 631.19 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [565.35; 1344.96] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.19600e+01 | |||
| Coefficient B | 2.48746e+00 | |||
| Coefficient C | -1.45370e-03 | |||
| Coefficient D | 3.23160e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 565.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 700.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 820.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 928.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1022.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1105.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1178.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1242.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1297.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1344.96 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-diundecyl-2-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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