- InChI
- InChI=1S/C12H15Cl3O/c1-3-8(2)6-16-7-10-11(14)4-9(13)5-12(10)15/h4-5,8H,3,6-7H2,1-2H3
- InChI Key
- QDIVPEPXNMAJLD-UHFFFAOYSA-N
- Formula
- C12H15Cl3O
- SMILES
- CCC(C)COCc1c(Cl)cc(Cl)cc1Cl
- Molecular Weight1
- 281.61
- 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° | -9.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -273.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.74 | kJ/mol | Joback Calculated Property |
| log10WS | -5.34 | Crippen Calculated Property | |
| logPoct/wat | 5.210 | Crippen Calculated Property | |
| McVol | 198.770 | ml/mol | McGowan Calculated Property |
| Pc | 2058.62 | kPa | Joback Calculated Property |
| Inp | [1763.00; 1763.00] |
|
|
| Inp | 1763.00 | NIST | |
| Inp | 1763.00 | NIST | |
| Tboil | 649.85 | K | Joback Calculated Property |
| Tc | 866.96 | K | Joback Calculated Property |
| Tfus | 385.97 | K | Joback Calculated Property |
| Vc | 0.758 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [456.19; 525.21] | J/mol×K | [649.85; 866.96] |
|
| Cp,gas | 456.19 | J/mol×K | 649.85 | Joback Calculated Property |
| Cp,gas | 469.61 | J/mol×K | 686.04 | Joback Calculated Property |
| Cp,gas | 482.25 | J/mol×K | 722.22 | Joback Calculated Property |
| Cp,gas | 494.11 | J/mol×K | 758.41 | Joback Calculated Property |
| Cp,gas | 505.21 | J/mol×K | 794.59 | Joback Calculated Property |
| Cp,gas | 515.57 | J/mol×K | 830.78 | Joback Calculated Property |
| Cp,gas | 525.21 | J/mol×K | 866.96 | Joback Calculated Property |
| η | [0.0001330; 0.0010834] | Pa×s | [385.97; 649.85] |
|
| η | 0.0010834 | Pa×s | 385.97 | Joback Calculated Property |
| η | 0.0006387 | Pa×s | 429.95 | Joback Calculated Property |
| η | 0.0004154 | Pa×s | 473.93 | Joback Calculated Property |
| η | 0.0002906 | Pa×s | 517.91 | Joback Calculated Property |
| η | 0.0002150 | Pa×s | 561.89 | Joback Calculated Property |
| η | 0.0001662 | Pa×s | 605.87 | Joback Calculated Property |
| η | 0.0001330 | Pa×s | 649.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Trichlorobenzyl alcohol, 2-methylbutyl ether.
Sources
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