- InChI
- InChI=1S/C11H12Cl3NO/c1-3-15(10(16)11(12,13)14)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
- InChI Key
- DEQXVMATOARFGZ-UHFFFAOYSA-N
- Formula
- C11H12Cl3NO
- SMILES
-
CCN(C(=O)C(Cl)(Cl)Cl)c1cccc(C)
c1 - Molecular Weight1
- 280.58
- 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 | 0.4912 | Relay (1.0) Calculated Property | |
| ΔfG° | 93.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -191.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.718 | Crippen Calculated Property | |
| McVol | 190.360 | ml/mol | McGowan Calculated Property |
| Pc | 2527.73 | kPa | Joback Calculated Property |
| Inp | [1751.00; 1751.00] |
|
|
| Inp | 1751.00 | NIST | |
| Inp | 1751.00 | NIST | |
| Tboil | 589.94 | K | Relay (1.0) Calculated Property |
| Tc | 814.48 | K | Relay (1.0) Calculated Property |
| Tfus | 298.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.672 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [438.29; 499.12] | J/mol×K | [658.11; 891.87] |
|
| Cp,gas | 438.29 | J/mol×K | 658.11 | Joback Calculated Property |
| Cp,gas | 450.77 | J/mol×K | 697.07 | Joback Calculated Property |
| Cp,gas | 462.20 | J/mol×K | 736.03 | Joback Calculated Property |
| Cp,gas | 472.66 | J/mol×K | 774.99 | Joback Calculated Property |
| Cp,gas | 482.25 | J/mol×K | 813.95 | Joback Calculated Property |
| Cp,gas | 491.03 | J/mol×K | 852.91 | Joback Calculated Property |
| Cp,gas | 499.12 | J/mol×K | 891.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetamide, N-ethyl-N-(3-methylphenyl)-.
Sources
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