- InChI
- InChI=1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
- InChI Key
- AUHHYELHRWCWEZ-UHFFFAOYSA-N
- Formula
- C8Cl4O3
- SMILES
-
O=C1OC(=O)c2c(Cl)c(Cl)c(Cl)c(C
l)c21 - Molecular Weight1
- 285.90
- CAS
- 117-08-8
- Other Names
-
- Phthalic anhydride, tetrachloro-
- Niagathal
- Tetrachlorophthalic anhydride
- 1,3-Dioxo-4,5,6,7-tetrachloroisobenzofuran
- NCI-C61585
- 3,4,5,6-Tetrachlorophthalic anhydride
- Tetrachlorophthalic acid anhydride
- 4,5,6,7-Tetrachloro-isobenzofuran-1,3-dione
- 4,5,6,7-Tetrachloro-1,3-isobenzofurandione
- Tetrathal
- 1,3-Isobenzofurandione, tetrachloro-
- 1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran
- NSC 1484
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| EA | 1.96 ± 0.09 | eV | NIST |
| ΔfG° | -229.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -406.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.75 | kJ/mol | Joback Calculated Property |
| IE | 10.80 ± 0.20 | eV | NIST |
| log10WS | -4.67 | Crippen Calculated Property | |
| logPoct/wat | 3.611 | Crippen Calculated Property | |
| McVol | 146.930 | ml/mol | McGowan Calculated Property |
| Pc | 3655.35 | kPa | Joback Calculated Property |
| Inp | [2029.00; 2029.00] |
|
|
| Inp | 2029.00 | NIST | |
| Inp | 2029.00 | NIST | |
| Tboil | 644.20 | K | NIST |
| Tc | 1032.62 | K | Joback Calculated Property |
| Tfus | 573.81 | K | Joback Calculated Property |
| Vc | 0.565 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [293.94; 324.26] | J/mol×K | [757.74; 1032.62] |
|
| Cp,gas | 293.94 | J/mol×K | 757.74 | Joback Calculated Property |
| Cp,gas | 300.95 | J/mol×K | 803.55 | Joback Calculated Property |
| Cp,gas | 307.24 | J/mol×K | 849.37 | Joback Calculated Property |
| Cp,gas | 312.77 | J/mol×K | 895.18 | Joback Calculated Property |
| Cp,gas | 317.48 | J/mol×K | 940.99 | Joback Calculated Property |
| Cp,gas | 321.33 | J/mol×K | 986.81 | Joback Calculated Property |
| Cp,gas | 324.26 | J/mol×K | 1032.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-.
Sources
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