- InChI
- InChI=1S/C6H13Cl2N/c1-2-9(5-3-7)6-4-8/h2-6H2,1H3
- InChI Key
- UQZPGHOJMQTOHB-UHFFFAOYSA-N
- Formula
- C6H13Cl2N
- SMILES
- CCN(CCCl)CCCl
- Molecular Weight1
- 170.08
- CAS
- 538-07-8
- Other Names
-
- 2,2'-Dichlorotriethylamine
- Ethanamine, 2-chloro-N-(2-chloroethyl)-N-ethyl-
- Ethyl-S
- Ethylbis(2-chloroethyl)amine
- Ethylbis(«beta»-chloroethyl)amine
- HN1
- Nitrogen mustard (HN-1)
- TL 1149
- TL 329
- Triethylamine, 2,2'-dichloro-
- bis(2-chloroethyl)ethylamine
- 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).
- Pvap : Vapor 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 | 0.4284 | Relay (1.0) Calculated Property | |
| ΔfG° | 86.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -143.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.786 | Crippen Calculated Property | |
| McVol | 129.860 | ml/mol | McGowan Calculated Property |
| Pc | 2859.68 | kPa | Joback Calculated Property |
| Inp | [1152.50; 1156.00] |
|
|
| Inp | 1156.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1152.50 | NIST | |
| Inp | 1153.33 | NIST | |
| Inp | 1156.00 | NIST | |
| Tboil | 461.38 | K | Relay (1.0) Calculated Property |
| Tc | 649.73 | K | Relay (1.0) Calculated Property |
| Tfus | 239.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.454 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.08; 383.44] | 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 | 1.25250e+01 | |||
| Coefficient B | 7.11320e-01 | |||
| Coefficient C | -4.56000e-04 | |||
| Coefficient D | 1.15600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 175.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 212.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 245.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 273.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 299.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 320.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 339.98 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 356.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 370.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 383.44 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [357.77; 606.96] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.25244e+01 | |||
| Coefficient B | -4.37791e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Temperature range, min. | 357.77 | |||
| Temperature range, max. | 606.96 | |||
| Pvap | 1.33 | kPa | 357.77 | Calculated Property |
| Pvap | 3.21 | kPa | 385.46 | Calculated Property |
| Pvap | 6.87 | kPa | 413.15 | Calculated Property |
| Pvap | 13.38 | kPa | 440.83 | Calculated Property |
| Pvap | 24.05 | kPa | 468.52 | Calculated Property |
| Pvap | 40.52 | kPa | 496.21 | Calculated Property |
| Pvap | 64.58 | kPa | 523.90 | Calculated Property |
| Pvap | 98.24 | kPa | 551.58 | Calculated Property |
| Pvap | 143.56 | kPa | 579.27 | Calculated Property |
| Pvap | 202.66 | kPa | 606.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl-bis(2-chloroethyl)amine.
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
- The Yaws Handbook of Vapor Pressure
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