- InChI
- InChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3
- InChI Key
- WQMAANNAZKNUDL-UHFFFAOYSA-N
- Formula
- C4H10ClN
- SMILES
- CN(C)CCCl
- Molecular Weight1
- 107.58
- CAS
- 107-99-3
- Other Names
-
- (2-Chloroethyl)dimethylamine
- Ethylamine, 2-chloro-N,N-dimethyl-
- Chloro(dimethylamino)ethane
- «beta»-Chloroethyldimethylamine
- N-(2-Chloroethyl)dimethylamine
- Dimethylaminoethyl chloride
- «beta»-(Dimethylamino)ethyl chloride
- 2-Dimethylaminoethylchloride
- Dimethyl(2-chloroethyl)amine
- HN 1
- Nitrogen half mustard
- 1-Dimethylamino-2-chloroethane
- N,N-Dimethyl-2-chloroethylamine
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 |
|---|---|---|---|
| ΔfusH° | 13.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.787 | Crippen Calculated Property | |
| McVol | 89.440 | ml/mol | McGowan Calculated Property |
| Inp | [746.00; 750.38] |
|
|
| Inp | 750.38 | NIST | |
| Inp | 746.00 | NIST | |
| Inp | 750.38 | NIST | |
| Inp | 746.00 | NIST | |
| Tboil | 382.39 | K | Relay (1.0) Calculated Property |
| Tfus | 180.03 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [119.25; 271.99] | 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 | 1.45200e+00 | |||
| Coefficient B | 5.14540e-01 | |||
| Coefficient C | -3.26800e-04 | |||
| Coefficient D | 8.28000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 119.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 146.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 170.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 191.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 209.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 225.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 239.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 251.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 262.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 271.99 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethanamine, 2-chloro-N,N-dimethyl-.
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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