- InChI
- InChI=1S/C8H15Cl2NO/c1-2-3-4-5-11-8(12)7(10)6-9/h7H,2-6H2,1H3,(H,11,12)
- InChI Key
- KZQJTJJPFSQOBT-UHFFFAOYSA-N
- Formula
- C8H15Cl2NO
- SMILES
- CCCCCNC(=O)C(Cl)CCl
- Molecular Weight1
- 212.12
- 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 | -418.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.62 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.139 | Crippen Calculated Property | |
| McVol | 159.610 | ml/mol | McGowan Calculated Property |
| Inp | [1644.00; 1644.00] |
|
|
| Inp | 1644.00 | NIST | |
| Inp | 1644.00 | NIST | |
| Tboil | 523.67 | K | Relay (1.0) Calculated Property |
| Tfus | 301.21 | 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 | [357.83; 420.99] | J/mol×K | [561.10; 753.72] |
|
| Cp,gas | 357.83 | J/mol×K | 561.10 | Joback Calculated Property |
| Cp,gas | 369.84 | J/mol×K | 593.20 | Joback Calculated Property |
| Cp,gas | 381.24 | J/mol×K | 625.31 | Joback Calculated Property |
| Cp,gas | 392.03 | J/mol×K | 657.41 | Joback Calculated Property |
| Cp,gas | 402.23 | J/mol×K | 689.51 | Joback Calculated Property |
| Cp,gas | 411.88 | J/mol×K | 721.61 | Joback Calculated Property |
| Cp,gas | 420.99 | J/mol×K | 753.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propionamide, 2,3-dichloro-N-pentyl-.
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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