- InChI
- InChI=1S/C12H5Cl3O2/c13-6-4-5-9-12(10(6)15)17-8-3-1-2-7(14)11(8)16-9/h1-5H
- InChI Key
- XQBPVWBIUBCJJO-UHFFFAOYSA-N
- Formula
- C12H5Cl3O2
- SMILES
- Clc1ccc2c(c1Cl)Oc1cccc(Cl)c1O2
- Molecular Weight1
- 287.53
- 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° | 99.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -87.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.39 | kJ/mol | Joback Calculated Property |
| log10WS | -5.04 | Crippen Calculated Property | |
| logPoct/wat | 5.545 | Crippen Calculated Property | |
| McVol | 170.020 | ml/mol | McGowan Calculated Property |
| Pc | 3177.55 | kPa | Joback Calculated Property |
| Inp | [2162.00; 2188.00] |
|
|
| Inp | 2188.00 | NIST | |
| Inp | 2162.00 | NIST | |
| Inp | 2163.00 | NIST | |
| Inp | 2188.00 | NIST | |
| Tboil | 725.55 | K | Joback Calculated Property |
| Tc | 990.47 | K | Joback Calculated Property |
| Tfus | 509.04 | K | Joback Calculated Property |
| Vc | 0.646 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.96; 419.96] | J/mol×K | [725.55; 990.47] |
|
| Cp,gas | 374.96 | J/mol×K | 725.55 | Joback Calculated Property |
| Cp,gas | 383.94 | J/mol×K | 769.70 | Joback Calculated Property |
| Cp,gas | 392.18 | J/mol×K | 813.86 | Joback Calculated Property |
| Cp,gas | 399.78 | J/mol×K | 858.01 | Joback Calculated Property |
| Cp,gas | 406.87 | J/mol×K | 902.16 | Joback Calculated Property |
| Cp,gas | 413.56 | J/mol×K | 946.32 | Joback Calculated Property |
| Cp,gas | 419.96 | J/mol×K | 990.47 | Joback Calculated Property |
| η | [0.0004903; 0.0013574] | Pa×s | [509.04; 725.55] |
|
| η | 0.0013574 | Pa×s | 509.04 | Joback Calculated Property |
| η | 0.0010829 | Pa×s | 545.13 | Joback Calculated Property |
| η | 0.0008885 | Pa×s | 581.21 | Joback Calculated Property |
| η | 0.0007461 | Pa×s | 617.30 | Joback Calculated Property |
| η | 0.0006387 | Pa×s | 653.38 | Joback Calculated Property |
| η | 0.0005557 | Pa×s | 689.47 | Joback Calculated Property |
| η | 0.0004903 | Pa×s | 725.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzo-p-dioxin, 1,2,6-trichloro.
Sources
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