- InChI
- InChI=1S/C4H6Cl3NO/c1-8(2)3(9)4(5,6)7/h1-2H3
- InChI Key
- WGBMKQSRUSKSOM-UHFFFAOYSA-N
- Formula
- C4H6Cl3NO
- SMILES
- CN(C)C(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 190.46
- CAS
- 7291-33-0
- Other Names
-
- Acetamide, 2,2,2-trichloro-N,N-dimethyl-
- Trichloroacetamide, N,N-dimethyl-
- 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).
- 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 | 0.3195 | Relay (1.0) Calculated Property | |
| ΔfG° | -68.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -225.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.445 | Crippen Calculated Property | |
| McVol | 115.490 | ml/mol | McGowan Calculated Property |
| Pc | 3749.97 | kPa | Joback Calculated Property |
| Tboil | 504.50 ± 1.50 | K | NIST |
| Tc | 667.08 | K | Relay (1.0) Calculated Property |
| Tfus | 283.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.421 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.37; 246.36] | J/mol×K | [466.29; 679.39] | 
|
| Cp,gas | 205.37 | J/mol×K | 466.29 | Joback Calculated Property |
| Cp,gas | 213.78 | J/mol×K | 501.81 | Joback Calculated Property |
| Cp,gas | 221.51 | J/mol×K | 537.32 | Joback Calculated Property |
| Cp,gas | 228.58 | J/mol×K | 572.84 | Joback Calculated Property |
| Cp,gas | 235.05 | J/mol×K | 608.35 | Joback Calculated Property |
| Cp,gas | 240.96 | J/mol×K | 643.87 | Joback Calculated Property |
| Cp,gas | 246.36 | J/mol×K | 679.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloro-N,N-dimethylacetamide.
Sources
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