- InChI
- InChI=1S/C6H12Cl3N/c7-1-4-10(5-2-8)6-3-9/h1-6H2
- InChI Key
- FDAYLTPAFBGXAB-UHFFFAOYSA-N
- Formula
- C6H12Cl3N
- SMILES
- ClCCN(CCCl)CCCl
- Molecular Weight1
- 204.53
- CAS
- 555-77-1
- Other Names
-
- HN3
- Trichlormethine
- A 8729
- Ethanamine, 2-chloro-N,N-bis(2-chloroethyl)-
- Sinalost base
- SK 100
- Tri-2-chloroethylamine
- Triethylamine, 2,2',2''-trichloro-
- Trimitan base
- Tris(«beta»-chloroethyl)amine
- TL 145
- TS 160
- 2,2',2''-Trichlorotriethylamine
- Trimustine
- Lekamin
- NSC-260424
- bis(2-chloroethyl)acetaldehyde acetal
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- I : 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 | 0.5058 | Relay (1.0) Calculated Property | |
| ΔfG° | 74.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -145.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.005 | Crippen Calculated Property | |
| McVol | 142.100 | ml/mol | McGowan Calculated Property |
| Pc | 2749.78 | kPa | Joback Calculated Property |
| Inp | [1361.00; 1411.00] |
|
|
| Inp | 1361.00 | NIST | |
| Inp | 1411.00 | NIST | |
| Inp | 1403.83 | NIST | |
| Inp | 1405.37 | NIST | |
| Inp | 1405.00 | NIST | |
| Inp | 1411.00 | NIST | |
| Inp | 1405.00 | NIST | |
| Inp | 1361.00 | NIST | |
| I | [2070.40; 2101.00] |
|
|
| I | 2089.00 | NIST | |
| I | 2101.00 | NIST | |
| I | 2070.40 | NIST | |
| Tboil | 503.22 | K | Relay (1.0) Calculated Property |
| Tc | 698.83 | K | Relay (1.0) Calculated Property |
| Tfus | 257.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.485 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [267.57; 324.16] | J/mol×K | [461.41; 646.27] |
|
| Cp,gas | 267.57 | J/mol×K | 461.41 | Joback Calculated Property |
| Cp,gas | 278.32 | J/mol×K | 492.22 | Joback Calculated Property |
| Cp,gas | 288.51 | J/mol×K | 523.03 | Joback Calculated Property |
| Cp,gas | 298.17 | J/mol×K | 553.84 | Joback Calculated Property |
| Cp,gas | 307.31 | J/mol×K | 584.65 | Joback Calculated Property |
| Cp,gas | 315.97 | J/mol×K | 615.46 | Joback Calculated Property |
| Cp,gas | 324.16 | J/mol×K | 646.27 | Joback Calculated Property |
| ΔvapH | 65.00 | kJ/mol | 303.00 | NIST |
Similar Compounds
Find more compounds similar to Tris(2-chloroethyl)amine.
Sources
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