- InChI
- InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H
- InChI Key
- YCLUIPQDHHPDJJ-UHFFFAOYSA-N
- Formula
- C12H2Cl6O2
- SMILES
-
Clc1cc2c(c(Cl)c1Cl)Oc1cc(Cl)c(
Cl)c(Cl)c1O2 - Molecular Weight1
- 390.86
- CAS
- 57653-85-7
- Other Names
-
- Dibenzo-p-dioxin, 1,2,3,6,7,8-hexachloro-
- Dibenzo(b,e)(1,4)dioxin, 1,2,3,6,7,8-hexachloro-
- 1,2,3,6,7,8-Hexachloro-p-dioxin
- 1,2,3,6,7,8-Hexachlorodibenzodioxin
- 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° | 34.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -168.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.53 | kJ/mol | Joback Calculated Property |
| log10WS | -7.10 | Crippen Calculated Property | |
| logPoct/wat | 7.505 | Crippen Calculated Property | |
| McVol | 206.740 | ml/mol | McGowan Calculated Property |
| Pc | 2684.64 | kPa | Joback Calculated Property |
| Inp | [2747.00; 2788.00] |
|
|
| Inp | 2749.00 | NIST | |
| Inp | 2788.00 | NIST | |
| Inp | 2747.00 | NIST | |
| Inp | 2788.00 | NIST | |
| Inp | 2788.00 | NIST | |
| Inp | 2782.00 | NIST | |
| Inp | 2782.00 | NIST | |
| Inp | 2788.00 | NIST | |
| Inp | 2788.00 | NIST | |
| Inp | 2749.00 | NIST | |
| Inp | 2782.00 | NIST | |
| Tboil | 852.78 | K | Joback Calculated Property |
| Tc | 1123.61 | K | Joback Calculated Property |
| Tfus | 636.36 | K | Joback Calculated Property |
| Vc | 0.793 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [417.83; 451.65] | J/mol×K | [852.78; 1123.61] |
|
| Cp,gas | 417.83 | J/mol×K | 852.78 | Joback Calculated Property |
| Cp,gas | 424.09 | J/mol×K | 897.92 | Joback Calculated Property |
| Cp,gas | 429.98 | J/mol×K | 943.06 | Joback Calculated Property |
| Cp,gas | 435.58 | J/mol×K | 988.19 | Joback Calculated Property |
| Cp,gas | 440.99 | J/mol×K | 1033.33 | Joback Calculated Property |
| Cp,gas | 446.32 | J/mol×K | 1078.47 | Joback Calculated Property |
| Cp,gas | 451.65 | J/mol×K | 1123.61 | Joback Calculated Property |
| η | [0.0003904; 0.0009011] | Pa×s | [636.36; 852.78] |
|
| η | 0.0009011 | Pa×s | 636.36 | Joback Calculated Property |
| η | 0.0007551 | Pa×s | 672.43 | Joback Calculated Property |
| η | 0.0006442 | Pa×s | 708.50 | Joback Calculated Property |
| η | 0.0005581 | Pa×s | 744.57 | Joback Calculated Property |
| η | 0.0004900 | Pa×s | 780.64 | Joback Calculated Property |
| η | 0.0004352 | Pa×s | 816.71 | Joback Calculated Property |
| η | 0.0003904 | Pa×s | 852.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin.
Sources
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