- InChI
- InChI=1S/C4H8ClNO/c1-2-6-4(7)3-5/h2-3H2,1H3,(H,6,7)
- InChI Key
- JUBORNFANZZVJL-UHFFFAOYSA-N
- Formula
- C4H8ClNO
- SMILES
- CCNC(=O)CCl
- Molecular Weight1
- 121.56
- CAS
- 105-35-1
- Other Names
-
- N-Ethylchloroacetamide
- (N-Chloroacetyl)ethyl amine
- Acetamide, 2-chloro-N-ethyl-
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -298.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.361 | Crippen Calculated Property | |
| McVol | 91.010 | ml/mol | McGowan Calculated Property |
| Tboil | 468.66 | K | Relay (1.0) Calculated Property |
| Tfus | 255.02 | 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 | [166.24; 208.59] | J/mol×K | [432.59; 624.70] | 
|
| Cp,gas | 166.24 | J/mol×K | 432.59 | Joback Calculated Property |
| Cp,gas | 174.18 | J/mol×K | 464.61 | Joback Calculated Property |
| Cp,gas | 181.76 | J/mol×K | 496.63 | Joback Calculated Property |
| Cp,gas | 188.98 | J/mol×K | 528.64 | Joback Calculated Property |
| Cp,gas | 195.85 | J/mol×K | 560.66 | Joback Calculated Property |
| Cp,gas | 202.38 | J/mol×K | 592.68 | Joback Calculated Property |
| Cp,gas | 208.59 | J/mol×K | 624.70 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 377.00 ± 1.00 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 2-Chloro-N-ethylacetamide.
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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