- InChI
- InChI=1S/C8H6Cl3NO/c9-5-2-1-3-6(4-5)12-8(13)7(10)11/h1-4,7H,(H,12,13)
- InChI Key
- LCMVVAIGAFVRAL-UHFFFAOYSA-N
- Formula
- C8H6Cl3NO
- SMILES
- O=C(Nc1cccc(Cl)c1)C(Cl)Cl
- Molecular Weight1
- 238.50
- 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 | 0.5129 | Relay (1.0) Calculated Property | |
| ΔfG° | 41.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -169.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.082 | Crippen Calculated Property | |
| McVol | 148.090 | ml/mol | McGowan Calculated Property |
| Pc | 3472.45 | kPa | Joback Calculated Property |
| Inp | [1692.00; 1692.00] |
|
|
| Inp | 1692.00 | NIST | |
| Inp | 1692.00 | NIST | |
| Tboil | 570.42 | K | Relay (1.0) Calculated Property |
| Tc | 857.68 | K | Relay (1.0) Calculated Property |
| Tfus | 342.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.508 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.74; 346.68] | J/mol×K | [629.99; 870.93] |
|
| Cp,gas | 301.74 | J/mol×K | 629.99 | Joback Calculated Property |
| Cp,gas | 311.05 | J/mol×K | 670.15 | Joback Calculated Property |
| Cp,gas | 319.57 | J/mol×K | 710.30 | Joback Calculated Property |
| Cp,gas | 327.35 | J/mol×K | 750.46 | Joback Calculated Property |
| Cp,gas | 334.43 | J/mol×K | 790.62 | Joback Calculated Property |
| Cp,gas | 340.86 | J/mol×K | 830.77 | Joback Calculated Property |
| Cp,gas | 346.68 | J/mol×K | 870.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(3-chlorophenyl)-2,2-dichloro-.
Sources
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