- InChI
- InChI=1S/C11H13Cl3O/c1-3-7(2)15-6-9-10(13)4-8(12)5-11(9)14/h4-5,7H,3,6H2,1-2H3
- InChI Key
- DQTJCTRPYGVCLF-UHFFFAOYSA-N
- Formula
- C11H13Cl3O
- SMILES
- CCC(C)OCc1c(Cl)cc(Cl)cc1Cl
- Molecular Weight1
- 267.58
- 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.
- 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 | 0.5313 | Relay (1.0) Calculated Property | |
| ΔfG° | -17.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -245.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.962 | Crippen Calculated Property | |
| McVol | 184.680 | ml/mol | McGowan Calculated Property |
| Pc | 2250.40 | kPa | Joback Calculated Property |
| Inp | 1662.00 | NIST | |
| Tboil | 552.98 | K | Relay (1.0) Calculated Property |
| Tc | 771.97 | K | Relay (1.0) Calculated Property |
| Tfus | 293.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.09; 472.44] | J/mol×K | [626.97; 847.93] | 
|
| Cp,gas | 407.09 | J/mol×K | 626.97 | Joback Calculated Property |
| Cp,gas | 419.80 | J/mol×K | 663.80 | Joback Calculated Property |
| Cp,gas | 431.76 | J/mol×K | 700.62 | Joback Calculated Property |
| Cp,gas | 443.00 | J/mol×K | 737.45 | Joback Calculated Property |
| Cp,gas | 453.51 | J/mol×K | 774.28 | Joback Calculated Property |
| Cp,gas | 463.32 | J/mol×K | 811.10 | Joback Calculated Property |
| Cp,gas | 472.44 | J/mol×K | 847.93 | Joback Calculated Property |
| η | [0.0001484; 0.0011413] | Pa×s | [374.70; 626.97] |
|
| η | 0.0011413 | Pa×s | 374.70 | Joback Calculated Property |
| η | 0.0006843 | Pa×s | 416.75 | Joback Calculated Property |
| η | 0.0004506 | Pa×s | 458.79 | Joback Calculated Property |
| η | 0.0003183 | Pa×s | 500.84 | Joback Calculated Property |
| η | 0.0002373 | Pa×s | 542.88 | Joback Calculated Property |
| η | 0.0001845 | Pa×s | 584.92 | Joback Calculated Property |
| η | 0.0001484 | Pa×s | 626.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Trichlorobenzyl alcohol, 1-methylpropyl ether.
Sources
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