- InChI
- InChI=1S/C8H7Cl2NO/c9-5-8(12)11-7-3-1-2-6(10)4-7/h1-4H,5H2,(H,11,12)
- InChI Key
- KNVBYGNINQITJC-UHFFFAOYSA-N
- Formula
- C8H7Cl2NO
- SMILES
- O=C(CCl)Nc1cccc(Cl)c1
- Molecular Weight1
- 204.05
- 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 | 0.5419 | Relay (1.0) Calculated Property | |
| ΔfG° | 55.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -180.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.517 | Crippen Calculated Property | |
| McVol | 135.850 | ml/mol | McGowan Calculated Property |
| Pc | 3594.25 | kPa | Joback Calculated Property |
| Inp | 1612.00 | NIST | |
| Tboil | 571.61 | K | Relay (1.0) Calculated Property |
| Tc | 840.25 | K | Relay (1.0) Calculated Property |
| Tfus | 354.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.468 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.22; 329.65] | J/mol×K | [593.00; 825.45] | 
|
| Cp,gas | 280.22 | J/mol×K | 593.00 | Joback Calculated Property |
| Cp,gas | 290.21 | J/mol×K | 631.74 | Joback Calculated Property |
| Cp,gas | 299.45 | J/mol×K | 670.48 | Joback Calculated Property |
| Cp,gas | 307.97 | J/mol×K | 709.22 | Joback Calculated Property |
| Cp,gas | 315.83 | J/mol×K | 747.96 | Joback Calculated Property |
| Cp,gas | 323.04 | J/mol×K | 786.71 | Joback Calculated Property |
| Cp,gas | 329.65 | J/mol×K | 825.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(3-chlorophenyl)-2-chloro-.
Sources
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