- InChI
- InChI=1S/C16H12Cl5NO/c1-10(23)22-15(16(19,20)21,11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9H,1H3,(H,22,23)
- InChI Key
- MCSLBZGLEIGWTI-UHFFFAOYSA-N
- Formula
- C16H12Cl5NO
- SMILES
-
CC(=O)NC(c1ccc(Cl)cc1)(c1ccc(C
l)cc1)C(Cl)(Cl)Cl - Molecular Weight1
- 411.54
- CAS
- 81012-95-5
- Other Names
-
- Acetamide, N-[2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethyl]-
- Acetamide, N-[1,1-bis(p-chlorophenyl)-2,2,2-trichloroethyl]-
- N-[2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethyl]acetamide
- 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 | 0.5876 | Relay (1.0) Calculated Property | |
| ΔfG° | 195.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -123.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.743 | Crippen Calculated Property | |
| McVol | 261.530 | ml/mol | McGowan Calculated Property |
| Pc | 2079.33 | kPa | Joback Calculated Property |
| Tboil | 657.55 | K | Relay (1.0) Calculated Property |
| Tc | 969.96 | K | Relay (1.0) Calculated Property |
| Tfus | 370.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.868 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [653.98; 704.73] | J/mol×K | [913.53; 1183.67] | 
|
| Cp,gas | 653.98 | J/mol×K | 913.53 | Joback Calculated Property |
| Cp,gas | 663.63 | J/mol×K | 958.55 | Joback Calculated Property |
| Cp,gas | 672.53 | J/mol×K | 1003.58 | Joback Calculated Property |
| Cp,gas | 680.89 | J/mol×K | 1048.60 | Joback Calculated Property |
| Cp,gas | 688.91 | J/mol×K | 1093.62 | Joback Calculated Property |
| Cp,gas | 696.79 | J/mol×K | 1138.65 | Joback Calculated Property |
| Cp,gas | 704.73 | J/mol×K | 1183.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethyl)acetamide.
Sources
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