- InChI
- InChI=1S/C8H7Cl3O3/c1-13-7-4(10)3(9)5(11)8(14-2)6(7)12/h12H,1-2H3
- InChI Key
- ZZCSBXFJFLSDRR-UHFFFAOYSA-N
- Formula
- C8H7Cl3O3
- SMILES
- COc1c(O)c(OC)c(Cl)c(Cl)c1Cl
- Molecular Weight1
- 257.50
- 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).
- 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 | 0.7100 | Relay (1.0) Calculated Property | |
| ΔfG° | -310.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -420.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.41 | Aq. Solubility Prediction | |
| logPoct/wat | 3.370 | Crippen Calculated Property | |
| McVol | 154.150 | ml/mol | McGowan Calculated Property |
| Pc | 3415.86 | kPa | Joback Calculated Property |
| Tboil | 573.94 | K | Relay (1.0) Calculated Property |
| Tc | 843.43 | K | Relay (1.0) Calculated Property |
| Tfus | 409.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.561 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [327.94; 371.38] | J/mol×K | [666.79; 902.60] | 
|
| Cp,gas | 327.94 | J/mol×K | 666.79 | Joback Calculated Property |
| Cp,gas | 336.21 | J/mol×K | 706.09 | Joback Calculated Property |
| Cp,gas | 344.03 | J/mol×K | 745.39 | Joback Calculated Property |
| Cp,gas | 351.44 | J/mol×K | 784.70 | Joback Calculated Property |
| Cp,gas | 358.45 | J/mol×K | 824.00 | Joback Calculated Property |
| Cp,gas | 365.09 | J/mol×K | 863.30 | Joback Calculated Property |
| Cp,gas | 371.38 | J/mol×K | 902.60 | Joback Calculated Property |
| η | [0.0000184; 0.0001422] | Pa×s | [502.36; 666.79] |
|
| η | 0.0001422 | Pa×s | 502.36 | Joback Calculated Property |
| η | 0.0000926 | Pa×s | 529.76 | Joback Calculated Property |
| η | 0.0000629 | Pa×s | 557.17 | Joback Calculated Property |
| η | 0.0000443 | Pa×s | 584.58 | Joback Calculated Property |
| η | 0.0000322 | Pa×s | 611.98 | Joback Calculated Property |
| η | 0.0000241 | Pa×s | 639.38 | Joback Calculated Property |
| η | 0.0000184 | Pa×s | 666.79 | Joback Calculated Property |
Similar Compounds
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Sources
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