- InChI
- InChI=1S/C13H8Cl3NO3/c14-8(15)5-9(18)17-11-10(16)12(19)6-3-1-2-4-7(6)13(11)20/h1-4,8H,5H2,(H,17,18)
- InChI Key
- ZIEWAMOXCOLNSJ-UHFFFAOYSA-N
- Formula
- C13H8Cl3NO3
- SMILES
-
O=C(CC(Cl)Cl)NC1=C(Cl)C(=O)c2c
cccc2C1=O - Molecular Weight1
- 332.57
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -94.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -351.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.92 | kJ/mol | Joback Calculated Property |
| log10WS | -5.03 | Estimat... | |
| logPoct/wat | 2.826 | Crippen Calculated Property | |
| McVol | 206.520 | ml/mol | McGowan Calculated Property |
| Pc | 2732.56 | kPa | Joback Calculated Property |
| Tboil | 904.83 | K | Joback Calculated Property |
| Tc | 1165.65 | K | Joback Calculated Property |
| Tfus | 633.46 | K | Joback Calculated Property |
| Vc | 0.787 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [537.81; 571.35] | J/mol×K | [904.83; 1165.65] | 
|
| Cp,gas | 537.81 | J/mol×K | 904.83 | Joback Calculated Property |
| Cp,gas | 546.63 | J/mol×K | 948.30 | Joback Calculated Property |
| Cp,gas | 554.16 | J/mol×K | 991.77 | Joback Calculated Property |
| Cp,gas | 560.40 | J/mol×K | 1035.24 | Joback Calculated Property |
| Cp,gas | 565.34 | J/mol×K | 1078.71 | Joback Calculated Property |
| Cp,gas | 569.00 | J/mol×K | 1122.18 | Joback Calculated Property |
| Cp,gas | 571.35 | J/mol×K | 1165.65 | Joback Calculated Property |
Similar Compounds
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Sources
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