- InChI
- InChI=1S/C15H11Cl2NO2/c1-18(14(19)10-6-2-4-8-12(10)16)15(20)11-7-3-5-9-13(11)17/h2-9H,1H3
- InChI Key
- HHWUAXDESPXELJ-UHFFFAOYSA-N
- Formula
- C15H11Cl2NO2
- SMILES
-
CN(C(=O)c1ccccc1Cl)C(=O)c1cccc
c1Cl - Molecular Weight1
- 308.16
- 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 | 0.6635 | Relay (1.0) Calculated Property | |
| ΔfG° | 110.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -216.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.906 | Crippen Calculated Property | |
| McVol | 212.290 | ml/mol | McGowan Calculated Property |
| Pc | 2561.10 | kPa | Joback Calculated Property |
| Inp | [2295.00; 2295.00] |
|
|
| Inp | 2295.00 | NIST | |
| Inp | 2295.00 | NIST | |
| Tboil | 631.04 | K | Relay (1.0) Calculated Property |
| Tc | 940.21 | K | Relay (1.0) Calculated Property |
| Tfus | 378.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.765 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [536.95; 590.98] | J/mol×K | [800.96; 1049.58] |
|
| Cp,gas | 536.95 | J/mol×K | 800.96 | Joback Calculated Property |
| Cp,gas | 548.38 | J/mol×K | 842.40 | Joback Calculated Property |
| Cp,gas | 558.72 | J/mol×K | 883.83 | Joback Calculated Property |
| Cp,gas | 568.06 | J/mol×K | 925.27 | Joback Calculated Property |
| Cp,gas | 576.50 | J/mol×K | 966.71 | Joback Calculated Property |
| Cp,gas | 584.11 | J/mol×K | 1008.15 | Joback Calculated Property |
| Cp,gas | 590.98 | J/mol×K | 1049.58 | Joback Calculated Property |
Similar Compounds
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Sources
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