- InChI
- InChI=1S/C7H4Cl4O/c1-12-7-4(9)2-3(8)5(10)6(7)11/h2H,1H3
- InChI Key
- ITXDBGLYYSJNPK-UHFFFAOYSA-N
- Formula
- C7H4Cl4O
- SMILES
- COc1c(Cl)cc(Cl)c(Cl)c1Cl
- Molecular Weight1
- 245.92
- CAS
- 938-22-7
- Other Names
-
- 2,3,4,6-Tetrachloroanisol
- 2,3,4,6-Tetrachloroanisole
- 2,4,5,6-Tetrachloroanisole
- Anisole, 2,3,4,6-tetrachloro-
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -70.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -192.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.05 | kJ/mol | Joback Calculated Property |
| log10WS | -5.13 | Aq. Sol... | |
| logPoct/wat | 4.309 | Crippen Calculated Property | |
| McVol | 140.560 | ml/mol | McGowan Calculated Property |
| Pc | 3142.03 | kPa | Joback Calculated Property |
| Inp | [1484.00; 1552.80] |
|
|
| Inp | 1506.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Inp | 1552.80 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Inp | 1506.00 | NIST | |
| I | [2020.00; 2094.00] |
|
|
| I | 2044.00 | NIST | |
| I | 2071.00 | NIST | |
| I | 2094.00 | NIST | |
| I | 2055.00 | NIST | |
| I | 2020.00 | NIST | |
| I | 2046.00 | NIST | |
| I | 2055.00 | NIST | |
| Tboil | 578.30 | K | Joback Calculated Property |
| Tc | 816.84 | K | Joback Calculated Property |
| Tfus | 387.06 | K | Joback Calculated Property |
| Vc | 0.533 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.24; 283.12] | J/mol×K | [578.30; 816.84] |
|
| Cp,gas | 245.24 | J/mol×K | 578.30 | Joback Calculated Property |
| Cp,gas | 252.60 | J/mol×K | 618.06 | Joback Calculated Property |
| Cp,gas | 259.55 | J/mol×K | 657.81 | Joback Calculated Property |
| Cp,gas | 266.09 | J/mol×K | 697.57 | Joback Calculated Property |
| Cp,gas | 272.20 | J/mol×K | 737.33 | Joback Calculated Property |
| Cp,gas | 277.88 | J/mol×K | 777.08 | Joback Calculated Property |
| Cp,gas | 283.12 | J/mol×K | 816.84 | Joback Calculated Property |
| η | [0.0002195; 0.0008652] | Pa×s | [387.06; 578.30] |
|
| η | 0.0008652 | Pa×s | 387.06 | Joback Calculated Property |
| η | 0.0006311 | Pa×s | 418.93 | Joback Calculated Property |
| η | 0.0004813 | Pa×s | 450.81 | Joback Calculated Property |
| η | 0.0003804 | Pa×s | 482.68 | Joback Calculated Property |
| η | 0.0003096 | Pa×s | 514.55 | Joback Calculated Property |
| η | 0.0002581 | Pa×s | 546.43 | Joback Calculated Property |
| η | 0.0002195 | Pa×s | 578.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2,3,5-tetrachloro-4-methoxy-.
Sources
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