- InChI
- InChI=1S/C5H9Cl2NO/c1-2-8-5(9)4(7)3-6/h4H,2-3H2,1H3,(H,8,9)
- InChI Key
- CMTAJZKYOJJXIN-UHFFFAOYSA-N
- Formula
- C5H9Cl2NO
- SMILES
- CCNC(=O)C(Cl)CCl
- Molecular Weight1
- 170.04
- 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).
- IE : Ionization energy (eV).
- 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 | -345.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.969 | Crippen Calculated Property | |
| McVol | 117.340 | ml/mol | McGowan Calculated Property |
| Inp | [1392.00; 1392.00] |
|
|
| Inp | 1392.00 | NIST | |
| Inp | 1392.00 | NIST | |
| Tboil | 485.03 | K | Relay (1.0) Calculated Property |
| Tfus | 300.44 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [227.65; 275.01] | J/mol×K | [492.46; 692.90] |
|
| Cp,gas | 227.65 | J/mol×K | 492.46 | Joback Calculated Property |
| Cp,gas | 236.70 | J/mol×K | 525.87 | Joback Calculated Property |
| Cp,gas | 245.26 | J/mol×K | 559.27 | Joback Calculated Property |
| Cp,gas | 253.36 | J/mol×K | 592.68 | Joback Calculated Property |
| Cp,gas | 261.01 | J/mol×K | 626.08 | Joback Calculated Property |
| Cp,gas | 268.22 | J/mol×K | 659.49 | Joback Calculated Property |
| Cp,gas | 275.01 | J/mol×K | 692.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propionamide, 2,3-dichloro-N-ethyl-.
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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