- InChI
- InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H
- InChI Key
- FSPZPQQWDODWAU-UHFFFAOYSA-N
- Formula
- C12H3Cl5O2
- SMILES
-
Clc1cc2c(cc1Cl)Oc1c(cc(Cl)c(Cl
)c1Cl)O2 - Molecular Weight1
- 356.42
- CAS
- 40321-76-4
- Other Names
-
- Dibenzo-p-dioxin, 1,2,3,7,8-pentachloro-
- 1,2,3,7,8-Pentachlorodibenzo-p-dioxin
- 1,2,3,7,8-Penta polychlorinated 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° | 56.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -141.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.49 | kJ/mol | Joback Calculated Property |
| log10WS | -6.41 | Crippen Calculated Property | |
| logPoct/wat | 6.852 | Crippen Calculated Property | |
| McVol | 194.500 | ml/mol | McGowan Calculated Property |
| Pc | 2835.36 | kPa | Joback Calculated Property |
| Inp | [2555.00; 2587.00] |
|
|
| Inp | 2574.00 | NIST | |
| Inp | 2587.00 | NIST | |
| Inp | Outlier 2555.00 | NIST | |
| Inp | 2587.00 | NIST | |
| Inp | 2587.00 | NIST | |
| Inp | 2581.00 | NIST | |
| Inp | 2581.00 | NIST | |
| Inp | 2587.00 | NIST | |
| Tboil | 810.37 | K | Joback Calculated Property |
| Tc | 1079.48 | K | Joback Calculated Property |
| Tfus | 593.92 | K | Joback Calculated Property |
| Vc | 0.745 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.85; 441.79] | J/mol×K | [810.37; 1079.48] |
|
| Cp,gas | 404.85 | J/mol×K | 810.37 | Joback Calculated Property |
| Cp,gas | 411.89 | J/mol×K | 855.22 | Joback Calculated Property |
| Cp,gas | 418.44 | J/mol×K | 900.07 | Joback Calculated Property |
| Cp,gas | 424.59 | J/mol×K | 944.92 | Joback Calculated Property |
| Cp,gas | 430.47 | J/mol×K | 989.77 | Joback Calculated Property |
| Cp,gas | 436.17 | J/mol×K | 1034.63 | Joback Calculated Property |
| Cp,gas | 441.79 | J/mol×K | 1079.48 | Joback Calculated Property |
| η | [0.0004264; 0.0010376] | Pa×s | [593.92; 810.37] |
|
| η | 0.0010376 | Pa×s | 593.92 | Joback Calculated Property |
| η | 0.0008575 | Pa×s | 630.00 | Joback Calculated Property |
| η | 0.0007235 | Pa×s | 666.07 | Joback Calculated Property |
| η | 0.0006211 | Pa×s | 702.14 | Joback Calculated Property |
| η | 0.0005413 | Pa×s | 738.22 | Joback Calculated Property |
| η | 0.0004778 | Pa×s | 774.30 | Joback Calculated Property |
| η | 0.0004264 | Pa×s | 810.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3,7,8-Pentachlorodibenzodioxin.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.