- 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
- Ethylbis(«beta»-chloroethyl)amine
- HN1
- Nitrogen mustard (HN-1)
- TL 1149
- TL 329
- Triethylamine, 2,2'-dichloro-
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 86.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.76 | kJ/mol | Joback Calculated Property |
| log10WS | -1.21 | Crippen 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 | 1156.00 | NIST | |
| Tboil | 423.98 | K | Joback Calculated Property |
| Tc | 602.32 | K | Joback Calculated Property |
| Tfus | 249.69 | K | Joback Calculated Property |
| Vc | 0.487 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.95; 300.80] | J/mol×K | [423.98; 602.32] | 
|
| Cp,gas | 240.95 | J/mol×K | 423.98 | Joback Calculated Property |
| Cp,gas | 252.18 | J/mol×K | 453.70 | Joback Calculated Property |
| Cp,gas | 262.89 | J/mol×K | 483.43 | Joback Calculated Property |
| Cp,gas | 273.08 | J/mol×K | 513.15 | Joback Calculated Property |
| Cp,gas | 282.79 | J/mol×K | 542.87 | Joback Calculated Property |
| Cp,gas | 292.02 | J/mol×K | 572.60 | Joback Calculated Property |
| Cp,gas | 300.80 | J/mol×K | 602.32 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [357.77; 606.96] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.25244e+01 | |||
| Coefficient B | -4.37791e+03 | |||
| 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 Bis(2-chloroethyl)ethylamine.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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