- InChI
- InChI=1S/C6H12ClNO/c1-3-8(4-2)6(9)5-7/h3-5H2,1-2H3
- InChI Key
- CQQUWTMMFMJEFE-UHFFFAOYSA-N
- Formula
- C6H12ClNO
- SMILES
- CCN(CC)C(=O)CCl
- Molecular Weight1
- 149.62
- CAS
- 2315-36-8
- Other Names
-
- «alpha»-Chloro-N,N-diethylacetamide
- N-Chloroacetyldiethylamine
- N,N-Diethyl-2-chloroacetamide
- N,N-Diethylchloroacetamide
- 2-Chloro-N,N-diethylacetamide
- CDEA
- TL 83
- Diethylamid kyseliny chloroctove
- NSC 1726
- 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 | -314.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.094 | Crippen Calculated Property | |
| McVol | 119.190 | ml/mol | McGowan Calculated Property |
| Tboil | 483.46 | K | Relay (1.0) Calculated Property |
| Tfus | 245.71 | 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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 422.20 | K | 7.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.60; 364.19] | 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 | 6.99300e+00 | |||
| Coefficient B | 6.76540e-01 | |||
| Coefficient C | -4.16900e-04 | |||
| Coefficient D | 9.75600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 162.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 198.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 230.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 258.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 282.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 304.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 322.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 338.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 352.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 364.19 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, 2-chloro-N,N-diethyl-.
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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