- InChI
- InChI=1S/C19H38ClNO/c1-4-6-8-10-12-14-16-21(19(22)18(3)20)17-15-13-11-9-7-5-2/h18H,4-17H2,1-3H3
- InChI Key
- SFIDWMGWNSNDKS-UHFFFAOYSA-N
- Formula
- C19H38ClNO
- SMILES
- CCCCCCCCN(CCCCCCCC)C(=O)C(C)Cl
- Molecular Weight1
- 331.96
- 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 | -599.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.93 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.163 | Crippen Calculated Property | |
| McVol | 302.360 | ml/mol | McGowan Calculated Property |
| Inp | [2266.00; 2266.00] |
|
|
| Inp | 2266.00 | NIST | |
| Inp | 2266.00 | NIST | |
| Tboil | 591.32 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [895.54; 996.00] | J/mol×K | [737.62; 912.89] |
|
| Cp,gas | 895.54 | J/mol×K | 737.62 | Joback Calculated Property |
| Cp,gas | 914.50 | J/mol×K | 766.83 | Joback Calculated Property |
| Cp,gas | 932.52 | J/mol×K | 796.04 | Joback Calculated Property |
| Cp,gas | 949.64 | J/mol×K | 825.25 | Joback Calculated Property |
| Cp,gas | 965.90 | J/mol×K | 854.46 | Joback Calculated Property |
| Cp,gas | 981.34 | J/mol×K | 883.68 | Joback Calculated Property |
| Cp,gas | 996.00 | J/mol×K | 912.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-dioctyl-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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