- InChI
- InChI=1S/C14H28ClNO/c1-3-4-5-6-7-8-9-10-13-16(2)14(17)11-12-15/h3-13H2,1-2H3
- InChI Key
- VFWVCQWSWNBFSU-UHFFFAOYSA-N
- Formula
- C14H28ClNO
- SMILES
- CCCCCCCCCCN(C)C(=O)CCCl
- Molecular Weight1
- 261.83
- 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).
- Tc : Critical 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 | -484.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.99 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.214 | Crippen Calculated Property | |
| McVol | 231.910 | ml/mol | McGowan Calculated Property |
| Inp | [1984.00; 1984.00] |
|
|
| Inp | 1984.00 | NIST | |
| Inp | 1984.00 | NIST | |
| Tboil | 574.70 | K | Relay (1.0) Calculated Property |
| Tc | 779.86 | K | Relay (1.0) Calculated Property |
| Tfus | 288.64 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [610.97; 700.27] | J/mol×K | [623.66; 795.44] |
|
| Cp,gas | 610.97 | J/mol×K | 623.66 | Joback Calculated Property |
| Cp,gas | 627.71 | J/mol×K | 652.29 | Joback Calculated Property |
| Cp,gas | 643.67 | J/mol×K | 680.92 | Joback Calculated Property |
| Cp,gas | 658.88 | J/mol×K | 709.55 | Joback Calculated Property |
| Cp,gas | 673.36 | J/mol×K | 738.18 | Joback Calculated Property |
| Cp,gas | 687.15 | J/mol×K | 766.81 | Joback Calculated Property |
| Cp,gas | 700.27 | J/mol×K | 795.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-decyl-N-methyl-3-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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