- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.15; 320.27] | 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 | 2.85920e+01 | |||
| Coefficient B | 5.46520e-01 | |||
| Coefficient C | -3.22100e-04 | |||
| Coefficient D | 6.72600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 155.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 184.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 210.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 233.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 254.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 271.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 287.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 300.03 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 311.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 320.27 | J/mol×K | 1000.00 | 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
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