- InChI
- InChI=1S/C16H13Cl2NO2/c1-2-19(15(20)11-7-3-5-9-13(11)17)16(21)12-8-4-6-10-14(12)18/h3-10H,2H2,1H3
- InChI Key
- YXHJMGZYDMYUBU-UHFFFAOYSA-N
- Formula
- C16H13Cl2NO2
- SMILES
-
CCN(C(=O)c1ccccc1Cl)C(=O)c1ccc
cc1Cl - Molecular Weight1
- 322.19
- 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 | 0.6951 | Relay (1.0) Calculated Property | |
| ΔfG° | 118.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -233.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.296 | Crippen Calculated Property | |
| McVol | 226.380 | ml/mol | McGowan Calculated Property |
| Pc | 2329.27 | kPa | Joback Calculated Property |
| Inp | [2341.00; 2341.00] |
|
|
| Inp | 2341.00 | NIST | |
| Inp | 2341.00 | NIST | |
| Tboil | 643.25 | K | Relay (1.0) Calculated Property |
| Tc | 935.89 | K | Relay (1.0) Calculated Property |
| Tfus | 355.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.807 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [590.49; 646.79] | J/mol×K | [823.84; 1067.81] |
|
| Cp,gas | 590.49 | J/mol×K | 823.84 | Joback Calculated Property |
| Cp,gas | 602.28 | J/mol×K | 864.50 | Joback Calculated Property |
| Cp,gas | 612.98 | J/mol×K | 905.16 | Joback Calculated Property |
| Cp,gas | 622.70 | J/mol×K | 945.83 | Joback Calculated Property |
| Cp,gas | 631.52 | J/mol×K | 986.49 | Joback Calculated Property |
| Cp,gas | 639.52 | J/mol×K | 1027.15 | Joback Calculated Property |
| Cp,gas | 646.79 | J/mol×K | 1067.81 | Joback Calculated Property |
Similar Compounds
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Sources
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