- InChI
- InChI=1S/C9H8Cl3NO2/c1-15-7-4-2-6(3-5-7)13-8(14)9(10,11)12/h2-5H,1H3,(H,13,14)
- InChI Key
- IFSVHMNTIRKVCD-UHFFFAOYSA-N
- Formula
- C9H8Cl3NO2
- SMILES
- COc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1
- Molecular Weight1
- 268.52
- CAS
- 4257-81-2
- Other Names
-
- Acetamide, N-(4-methoxyphenyl)-2,2,2-trichloro-
- 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 | 0.5325 | Relay (... Calculated Property | |
| ΔfG° | -49.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -284.16 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.88 | kJ/mol | Relay (... Calculated Property |
| IE | 8.15 | eV | Relay (... Calculated Property |
| log10WS | -3.80 | Relay (... Calculated Property | |
| logPoct/wat | 3.004 | Crippen Calculated Property | |
| McVol | 168.050 | ml/mol | McGowan Calculated Property |
| Pc | 3089.85 | kPa | Joback Calculated Property |
| Inp | 1866.00 | NIST | |
| Tboil | 598.86 | K | Relay (... Calculated Property |
| Tc | 842.85 | K | Relay (... Calculated Property |
| Tfus | 370.48 | K | Relay (... Calculated Property |
| Vc | 0.578 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [373.72; 421.70] | J/mol×K | [672.50; 913.89] | 
|
| Cp,gas | 373.72 | J/mol×K | 672.50 | Joback Calculated Property |
| Cp,gas | 383.78 | J/mol×K | 712.73 | Joback Calculated Property |
| Cp,gas | 392.95 | J/mol×K | 752.96 | Joback Calculated Property |
| Cp,gas | 401.26 | J/mol×K | 793.19 | Joback Calculated Property |
| Cp,gas | 408.79 | J/mol×K | 833.43 | Joback Calculated Property |
| Cp,gas | 415.59 | J/mol×K | 873.66 | Joback Calculated Property |
| Cp,gas | 421.70 | J/mol×K | 913.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, 2,2,2-trichloro-N-(4-methoxyphenyl)-.
Sources
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