- InChI
- InChI=1S/C12H7Cl3O2/c13-12(14,15)11(16)17-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
- InChI Key
- CXHQPDVKRPVPJV-UHFFFAOYSA-N
- Formula
- C12H7Cl3O2
- SMILES
-
O=C(Oc1ccc2ccccc2c1)C(Cl)(Cl)C
l - Molecular Weight1
- 289.54
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -7.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -175.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.90 | kJ/mol | Joback Calculated Property |
| log10WS | -5.15 | Crippen Calculated Property | |
| logPoct/wat | 4.115 | Crippen Calculated Property | |
| McVol | 180.880 | ml/mol | McGowan Calculated Property |
| Pc | 2906.11 | kPa | Joback Calculated Property |
| Inp | [1944.00; 1944.00] |
|
|
| Inp | 1944.00 | NIST | |
| Inp | 1944.00 | NIST | |
| Tboil | 709.95 | K | Joback Calculated Property |
| Tc | 968.33 | K | Joback Calculated Property |
| Tfus | 460.98 | K | Joback Calculated Property |
| Vc | 0.681 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.12; 455.48] | J/mol×K | [709.95; 968.33] |
|
| Cp,gas | 407.12 | J/mol×K | 709.95 | Joback Calculated Property |
| Cp,gas | 417.31 | J/mol×K | 753.01 | Joback Calculated Property |
| Cp,gas | 426.48 | J/mol×K | 796.08 | Joback Calculated Property |
| Cp,gas | 434.77 | J/mol×K | 839.14 | Joback Calculated Property |
| Cp,gas | 442.29 | J/mol×K | 882.20 | Joback Calculated Property |
| Cp,gas | 449.15 | J/mol×K | 925.27 | Joback Calculated Property |
| Cp,gas | 455.48 | J/mol×K | 968.33 | Joback Calculated Property |
| η | [0.0002212; 0.0012227] | Pa×s | [460.98; 709.95] |
|
| η | 0.0012227 | Pa×s | 460.98 | Joback Calculated Property |
| η | 0.0008174 | Pa×s | 502.48 | Joback Calculated Property |
| η | 0.0005811 | Pa×s | 543.97 | Joback Calculated Property |
| η | 0.0004336 | Pa×s | 585.47 | Joback Calculated Property |
| η | 0.0003363 | Pa×s | 626.96 | Joback Calculated Property |
| η | 0.0002692 | Pa×s | 668.46 | Joback Calculated Property |
| η | 0.0002212 | Pa×s | 709.95 | Joback Calculated Property |
Similar Compounds
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Sources
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