- InChI
- InChI=1S/C9H9Cl2NO/c1-6(10)9(13)12-8-4-2-3-7(11)5-8/h2-6H,1H3,(H,12,13)
- InChI Key
- RMICMLBMAQRUJI-UHFFFAOYSA-N
- Formula
- C9H9Cl2NO
- SMILES
- CC(Cl)C(=O)Nc1cccc(Cl)c1
- Molecular Weight1
- 218.08
- 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 | 0.5195 | Relay (1.0) Calculated Property | |
| ΔfG° | 61.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -209.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.906 | Crippen Calculated Property | |
| McVol | 149.940 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Inp | [1625.00; 1625.00] |
|
|
| Inp | 1625.00 | NIST | |
| Inp | 1625.00 | NIST | |
| Tboil | 558.33 | K | Relay (1.0) Calculated Property |
| Tc | 826.25 | K | Relay (1.0) Calculated Property |
| Tfus | 355.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.519 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.46; 381.80] | J/mol×K | [615.44; 848.25] |
|
| Cp,gas | 326.46 | J/mol×K | 615.44 | Joback Calculated Property |
| Cp,gas | 337.64 | J/mol×K | 654.24 | Joback Calculated Property |
| Cp,gas | 347.98 | J/mol×K | 693.04 | Joback Calculated Property |
| Cp,gas | 357.52 | J/mol×K | 731.84 | Joback Calculated Property |
| Cp,gas | 366.32 | J/mol×K | 770.65 | Joback Calculated Property |
| Cp,gas | 374.39 | J/mol×K | 809.45 | Joback Calculated Property |
| Cp,gas | 381.80 | J/mol×K | 848.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(3-chlorophenyl)-2-chloro-.
Sources
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