- InChI
- InChI=1S/C12H4Cl4O2/c13-5-2-1-3-7-11(5)18-12-8(17-7)4-6(14)9(15)10(12)16/h1-4H
- InChI Key
- CMVHZKSHSHQJHS-UHFFFAOYSA-N
- Formula
- C12H4Cl4O2
- SMILES
-
Clc1cc2c(c(Cl)c1Cl)Oc1c(Cl)ccc
c1O2 - Molecular Weight1
- 321.97
- Other Names
-
- 1,2,3,9-tetrachloro dibenzo-p-dioxin
- 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° | 77.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -114.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.44 | kJ/mol | Joback Calculated Property |
| log10WS | -5.73 | Crippen Calculated Property | |
| logPoct/wat | 6.198 | Crippen Calculated Property | |
| McVol | 182.260 | ml/mol | McGowan Calculated Property |
| Pc | 2999.15 | kPa | Joback Calculated Property |
| Inp | [2371.00; 2392.00] |
|
|
| Inp | 2392.00 | NIST | |
| Inp | 2392.00 | NIST | |
| Inp | 2392.00 | NIST | |
| Inp | 2371.00 | NIST | |
| Inp | 2371.00 | NIST | |
| Inp | 2392.00 | NIST | |
| Inp | 2392.00 | NIST | |
| Inp | 2371.00 | NIST | |
| Tboil | 767.96 | K | Joback Calculated Property |
| Tc | 1035.13 | K | Joback Calculated Property |
| Tfus | 551.48 | K | Joback Calculated Property |
| Vc | 0.696 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [390.63; 431.25] | J/mol×K | [767.96; 1035.13] |
|
| Cp,gas | 390.63 | J/mol×K | 767.96 | Joback Calculated Property |
| Cp,gas | 398.57 | J/mol×K | 812.49 | Joback Calculated Property |
| Cp,gas | 405.89 | J/mol×K | 857.02 | Joback Calculated Property |
| Cp,gas | 412.71 | J/mol×K | 901.55 | Joback Calculated Property |
| Cp,gas | 419.14 | J/mol×K | 946.08 | Joback Calculated Property |
| Cp,gas | 425.28 | J/mol×K | 990.60 | Joback Calculated Property |
| Cp,gas | 431.25 | J/mol×K | 1035.13 | Joback Calculated Property |
| η | [0.0004605; 0.0011898] | Pa×s | [551.48; 767.96] |
|
| η | 0.0011898 | Pa×s | 551.48 | Joback Calculated Property |
| η | 0.0009675 | Pa×s | 587.56 | Joback Calculated Property |
| η | 0.0008058 | Pa×s | 623.64 | Joback Calculated Property |
| η | 0.0006847 | Pa×s | 659.72 | Joback Calculated Property |
| η | 0.0005917 | Pa×s | 695.80 | Joback Calculated Property |
| η | 0.0005188 | Pa×s | 731.88 | Joback Calculated Property |
| η | 0.0004605 | Pa×s | 767.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzo-p-dioxin, 1,2,3,9-tetrachloro.
Sources
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