- InChI
- InChI=1S/C11H11Cl3O3/c1-6(2)5-16-11(15)17-10-4-8(13)7(12)3-9(10)14/h3-4,6H,5H2,1-2H3
- InChI Key
- XQKTZGNVVORUCS-UHFFFAOYSA-N
- Formula
- C11H11Cl3O3
- SMILES
-
CC(C)COC(=O)Oc1cc(Cl)c(Cl)cc1C
l - Molecular Weight1
- 297.56
- 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.
- 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° | -251.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -497.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.67 | kJ/mol | Joback Calculated Property |
| log10WS | -4.92 | Crippen Calculated Property | |
| logPoct/wat | 4.818 | Crippen Calculated Property | |
| McVol | 192.120 | ml/mol | McGowan Calculated Property |
| Pc | 2351.92 | kPa | Joback Calculated Property |
| Inp | [1827.00; 1827.00] |
|
|
| Inp | 1827.00 | NIST | |
| Inp | 1827.00 | NIST | |
| Tboil | 703.26 | K | Joback Calculated Property |
| Tc | 927.66 | K | Joback Calculated Property |
| Tfus | 446.86 | K | Joback Calculated Property |
| Vc | 0.727 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.25; 498.78] | J/mol×K | [703.26; 927.66] |
|
| Cp,gas | 443.25 | J/mol×K | 703.26 | Joback Calculated Property |
| Cp,gas | 454.46 | J/mol×K | 740.66 | Joback Calculated Property |
| Cp,gas | 464.90 | J/mol×K | 778.06 | Joback Calculated Property |
| Cp,gas | 474.56 | J/mol×K | 815.46 | Joback Calculated Property |
| Cp,gas | 483.43 | J/mol×K | 852.86 | Joback Calculated Property |
| Cp,gas | 491.50 | J/mol×K | 890.26 | Joback Calculated Property |
| Cp,gas | 498.78 | J/mol×K | 927.66 | Joback Calculated Property |
| η | [0.0001172; 0.0007459] | Pa×s | [446.86; 703.26] |
|
| η | 0.0007459 | Pa×s | 446.86 | Joback Calculated Property |
| η | 0.0004789 | Pa×s | 489.59 | Joback Calculated Property |
| η | 0.0003302 | Pa×s | 532.33 | Joback Calculated Property |
| η | 0.0002406 | Pa×s | 575.06 | Joback Calculated Property |
| η | 0.0001831 | Pa×s | 617.79 | Joback Calculated Property |
| η | 0.0001444 | Pa×s | 660.53 | Joback Calculated Property |
| η | 0.0001172 | Pa×s | 703.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-Trichlorophenol, isoBOC.
Sources
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