- InChI
- InChI=1S/C8H7Cl2NO/c1-5(12)11-6-2-3-7(9)8(10)4-6/h2-4H,1H3,(H,11,12)
- InChI Key
- SCYGGCAQZFJGRF-UHFFFAOYSA-N
- Formula
- C8H7Cl2NO
- SMILES
- CC(=O)Nc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 204.05
- CAS
- 2150-93-8
- Other Names
-
- Acetanilide, 3',4'-dichloro-
- N-(3,4-Dichlorophenyl)acetamide
- NSC 30069
- N-Acetyl-3,4-dichloroaniline
- 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 | 0.5403 | Relay (1.0) Calculated Property | |
| ΔfG° | 46.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -198.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.952 | Crippen Calculated Property | |
| McVol | 135.850 | ml/mol | McGowan Calculated Property |
| Pc | 3530.46 | kPa | Joback Calculated Property |
| Inp | 1727.00 | NIST | |
| Tboil | 563.15 | K | Relay (1.0) Calculated Property |
| Tc | 843.93 | K | Relay (1.0) Calculated Property |
| Tfus | 367.75 | 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 | [278.93; 327.50] | J/mol×K | [597.98; 831.44] | 
|
| Cp,gas | 278.93 | J/mol×K | 597.98 | Joback Calculated Property |
| Cp,gas | 288.66 | J/mol×K | 636.89 | Joback Calculated Property |
| Cp,gas | 297.69 | J/mol×K | 675.80 | Joback Calculated Property |
| Cp,gas | 306.07 | J/mol×K | 714.71 | Joback Calculated Property |
| Cp,gas | 313.81 | J/mol×K | 753.62 | Joback Calculated Property |
| Cp,gas | 320.94 | J/mol×K | 792.53 | Joback Calculated Property |
| Cp,gas | 327.50 | J/mol×K | 831.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3',4'-Dichloroacetanilide.
Sources
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