- InChI
- InChI=1S/C6H14ClN/c1-3-8(4-2)6-5-7/h3-6H2,1-2H3
- InChI Key
- YMDNODNLFSHHCV-UHFFFAOYSA-N
- Formula
- C6H14ClN
- SMILES
- CCN(CC)CCCl
- Molecular Weight1
- 135.64
- Other Names
-
- (2-Chloroethyl)diethylamine
- 1-Chloro-2-(diethylamino)ethane
- 1-Diethylamino-2-chloroethane
- 2-(Diethylamino)chloroethane
- 2-(Diethylamino)ethyl chloride
- Diethyl(2-chloroethyl)amine
- Diethylaminoethyl chloride
- Ethanamine, 2-chloro-n,n-diethyl-
- N,N-Diethyl-2-chloroethylamine
- N-(2-Chloroethyl)diethylamine
- N-Diethylaminoethyl chloride
- Triethylamine, 2-chloro-
- «beta»-(Diethylamino)ethyl chloride
- «beta»-Chlorotriethylamine
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3601 | Relay (1.0) Calculated Property | |
| ΔfG° | 98.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -132.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.567 | Crippen Calculated Property | |
| McVol | 117.620 | ml/mol | McGowan Calculated Property |
| Pc | 2976.29 | kPa | Joback Calculated Property |
| Inp | [901.00; 911.29] |
|
|
| Inp | 911.29 | NIST | |
| Inp | 901.00 | NIST | |
| Inp | 911.29 | NIST | |
| Inp | 901.00 | NIST | |
| Tboil | 417.61 | K | Relay (1.0) Calculated Property |
| Tc | 601.95 | K | Relay (1.0) Calculated Property |
| Tfus | 483.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.418 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.68; 375.17] | 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 | -3.66000e-01 | |||
| Coefficient B | 7.04540e-01 | |||
| Coefficient C | -4.35600e-04 | |||
| Coefficient D | 1.06600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 199.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 232.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 261.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 287.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 310.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 329.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 346.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 361.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 375.17 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-CHLOROTRIETHYLAMINE.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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