- InChI
- InChI=1S/C8H6Cl4O2/c1-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h1-2H3
- InChI Key
- NCYHCGGUQGDEQW-UHFFFAOYSA-N
- Formula
- C8H6Cl4O2
- SMILES
- COc1c(Cl)c(Cl)c(Cl)c(Cl)c1OC
- Molecular Weight1
- 275.94
- CAS
- 944-61-6
- Other Names
-
- 1,2,3,4-Tetrachloro-5,6-dimethoxybenzene
- Tetrachloroveratrole
- ω : Acentric Factor.
- 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).
- 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.
- I : 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 |
|---|---|---|---|
| ω | 0.5839 | Relay (1.0) Calculated Property | |
| ΔfG° | -176.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -263.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.24 | Aq. Solubility Prediction | |
| logPoct/wat | 4.317 | Crippen Calculated Property | |
| McVol | 160.520 | ml/mol | McGowan Calculated Property |
| Pc | 2735.42 | kPa | Joback Calculated Property |
| Inp | [1677.00; 1726.00] |
|
|
| Inp | 1677.00 | NIST | |
| Inp | 1690.00 | NIST | |
| Inp | 1705.00 | NIST | |
| Inp | 1724.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Inp | 1677.00 | NIST | |
| I | [2301.00; 2359.00] |
|
|
| I | 2301.00 | NIST | |
| I | 2331.00 | NIST | |
| I | 2359.00 | NIST | |
| I | 2342.00 | NIST | |
| I | 2301.00 | NIST | |
| Tboil | 576.49 | K | Relay (1.0) Calculated Property |
| Tc | 825.95 | K | Relay (1.0) Calculated Property |
| Tfus | 416.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.591 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.99; 351.69] | J/mol×K | [628.58; 859.87] |
|
| Cp,gas | 307.99 | J/mol×K | 628.58 | Joback Calculated Property |
| Cp,gas | 316.44 | J/mol×K | 667.13 | Joback Calculated Property |
| Cp,gas | 324.47 | J/mol×K | 705.68 | Joback Calculated Property |
| Cp,gas | 332.04 | J/mol×K | 744.23 | Joback Calculated Property |
| Cp,gas | 339.12 | J/mol×K | 782.77 | Joback Calculated Property |
| Cp,gas | 345.68 | J/mol×K | 821.32 | Joback Calculated Property |
| Cp,gas | 351.69 | J/mol×K | 859.87 | Joback Calculated Property |
| η | [0.0001570; 0.0005597] | Pa×s | [433.08; 628.58] |
|
| η | 0.0005597 | Pa×s | 433.08 | Joback Calculated Property |
| η | 0.0004205 | Pa×s | 465.66 | Joback Calculated Property |
| η | 0.0003279 | Pa×s | 498.25 | Joback Calculated Property |
| η | 0.0002637 | Pa×s | 530.83 | Joback Calculated Property |
| η | 0.0002174 | Pa×s | 563.41 | Joback Calculated Property |
| η | 0.0001831 | Pa×s | 596.00 | Joback Calculated Property |
| η | 0.0001570 | Pa×s | 628.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2,3,4-tetrachloro-5,6-dimethoxy-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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