- InChI
- InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H
- InChI Key
- WCLNVRQZUKYVAI-UHFFFAOYSA-N
- Formula
- C12HCl7O2
- SMILES
-
Clc1cc2c(c(Cl)c1Cl)Oc1c(Cl)c(C
l)c(Cl)c(Cl)c1O2 - Molecular Weight1
- 425.31
- CAS
- 35822-46-9
- Other Names
-
- 1,2,3,4,6,7,8-heptachlorodibenzo-p-dioxin
- Dibenzo-p-dioxin, 1,2,3,4,6,7,8-heptachloro
- 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° | 13.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -196.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.58 | kJ/mol | Joback Calculated Property |
| log10WS | -11.25 | Aq. Sol... | |
| logPoct/wat | 8.158 | Crippen Calculated Property | |
| McVol | 218.980 | ml/mol | McGowan Calculated Property |
| Pc | 2545.61 | kPa | Joback Calculated Property |
| Inp | [470.46; 2996.00] |
|
|
| Inp | 2971.00 | NIST | |
| Inp | 2994.00 | NIST | |
| Inp | 2996.00 | NIST | |
| Inp | 2994.00 | NIST | |
| Inp | 2992.00 | NIST | |
| Inp | 2993.00 | NIST | |
| Inp | 2994.00 | NIST | |
| Inp | Outlier 470.46 | NIST | |
| Tboil | 895.19 | K | Joback Calculated Property |
| Tc | 1167.63 | K | Joback Calculated Property |
| Tfus | 678.80 | K | Joback Calculated Property |
| Vc | 0.843 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.71; 460.89] | J/mol×K | [895.19; 1167.63] |
|
| Cp,gas | 429.71 | J/mol×K | 895.19 | Joback Calculated Property |
| Cp,gas | 435.32 | J/mol×K | 940.60 | Joback Calculated Property |
| Cp,gas | 440.64 | J/mol×K | 986.00 | Joback Calculated Property |
| Cp,gas | 445.77 | J/mol×K | 1031.41 | Joback Calculated Property |
| Cp,gas | 450.79 | J/mol×K | 1076.81 | Joback Calculated Property |
| Cp,gas | 455.80 | J/mol×K | 1122.22 | Joback Calculated Property |
| Cp,gas | 460.89 | J/mol×K | 1167.63 | Joback Calculated Property |
| η | [0.0003540; 0.0007797] | Pa×s | [678.80; 895.19] |
|
| η | 0.0007797 | Pa×s | 678.80 | Joback Calculated Property |
| η | 0.0006612 | Pa×s | 714.87 | Joback Calculated Property |
| η | 0.0005697 | Pa×s | 750.93 | Joback Calculated Property |
| η | 0.0004976 | Pa×s | 787.00 | Joback Calculated Property |
| η | 0.0004398 | Pa×s | 823.06 | Joback Calculated Property |
| η | 0.0003928 | Pa×s | 859.12 | Joback Calculated Property |
| η | 0.0003540 | Pa×s | 895.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3,4,6,7,8-Heptachlorodibenzodioxin.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.