- InChI
- InChI=1S/C8H7Cl3O2/c1-12-5-3-4(9)6(10)7(11)8(5)13-2/h3H,1-2H3
- InChI Key
- VKNITLPENCJQOP-UHFFFAOYSA-N
- Formula
- C8H7Cl3O2
- SMILES
- COc1cc(Cl)c(Cl)c(Cl)c1OC
- Molecular Weight1
- 241.50
- CAS
- 16766-29-3
- Other Names
-
- 1,2,3-Trichloro-4,5-dimethoxybenzene
- 3,4,5-Trichloroveratrole
- Benzene, 3,4,5-trichloro-1,2-dimethoxy
- 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° | -155.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.30 | kJ/mol | Joback Calculated Property |
| log10WS | -4.37 | Aq. Sol... | |
| logPoct/wat | 3.664 | Crippen Calculated Property | |
| McVol | 148.280 | ml/mol | McGowan Calculated Property |
| Pc | 2890.51 | kPa | Joback Calculated Property |
| Inp | [1606.00; 1640.00] |
|
|
| Inp | 1606.00 | NIST | |
| Inp | 1613.00 | NIST | |
| Inp | 1622.00 | NIST | |
| Inp | 1640.00 | NIST | |
| Inp | 1636.00 | NIST | |
| I | [2287.00; 2351.00] |
|
|
| I | 2287.00 | NIST | |
| I | 2312.00 | NIST | |
| I | 2332.00 | NIST | |
| I | 2351.00 | NIST | |
| I | 2342.00 | NIST | |
| Tboil | 586.17 | K | Joback Calculated Property |
| Tc | 812.98 | K | Joback Calculated Property |
| Tfus | 390.64 | K | Joback Calculated Property |
| Vc | 0.558 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [289.10; 337.68] | J/mol×K | [586.17; 812.98] |
|
| Cp,gas | 289.10 | J/mol×K | 586.17 | Joback Calculated Property |
| Cp,gas | 298.34 | J/mol×K | 623.97 | Joback Calculated Property |
| Cp,gas | 307.16 | J/mol×K | 661.77 | Joback Calculated Property |
| Cp,gas | 315.53 | J/mol×K | 699.57 | Joback Calculated Property |
| Cp,gas | 323.42 | J/mol×K | 737.38 | Joback Calculated Property |
| Cp,gas | 330.81 | J/mol×K | 775.18 | Joback Calculated Property |
| Cp,gas | 337.68 | J/mol×K | 812.98 | Joback Calculated Property |
| η | [0.0001676; 0.0006860] | Pa×s | [390.64; 586.17] |
|
| η | 0.0006860 | Pa×s | 390.64 | Joback Calculated Property |
| η | 0.0004955 | Pa×s | 423.23 | Joback Calculated Property |
| η | 0.0003749 | Pa×s | 455.82 | Joback Calculated Property |
| η | 0.0002945 | Pa×s | 488.41 | Joback Calculated Property |
| η | 0.0002384 | Pa×s | 520.99 | Joback Calculated Property |
| η | 0.0001978 | Pa×s | 553.58 | Joback Calculated Property |
| η | 0.0001676 | Pa×s | 586.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2,3-trichloro-4,5-dimethoxy-.
Sources
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