- InChI
- InChI=1S/C12H15Cl3O/c1-12(2,3)7-16-6-9-10(14)4-8(13)5-11(9)15/h4-5H,6-7H2,1-3H3
- InChI Key
- HKYOHTPYOYXZDV-UHFFFAOYSA-N
- Formula
- C12H15Cl3O
- SMILES
- CC(C)(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° | -4.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -277.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.84 | 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 | 2079.33 | kPa | Joback Calculated Property |
| Inp | [1672.00; 1672.00] |
|
|
| Inp | 1672.00 | NIST | |
| Inp | 1672.00 | NIST | |
| Tboil | 647.06 | K | Joback Calculated Property |
| Tc | 872.24 | K | Joback Calculated Property |
| Tfus | 403.39 | K | Joback Calculated Property |
| Vc | 0.753 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [458.95; 528.13] | J/mol×K | [647.06; 872.24] |
|
| Cp,gas | 458.95 | J/mol×K | 647.06 | Joback Calculated Property |
| Cp,gas | 472.61 | J/mol×K | 684.59 | Joback Calculated Property |
| Cp,gas | 485.36 | J/mol×K | 722.12 | Joback Calculated Property |
| Cp,gas | 497.25 | J/mol×K | 759.65 | Joback Calculated Property |
| Cp,gas | 508.32 | J/mol×K | 797.18 | Joback Calculated Property |
| Cp,gas | 518.60 | J/mol×K | 834.71 | Joback Calculated Property |
| Cp,gas | 528.13 | J/mol×K | 872.24 | Joback Calculated Property |
| η | [0.0001236; 0.0009604] | Pa×s | [403.39; 647.06] |
|
| η | 0.0009604 | Pa×s | 403.39 | Joback Calculated Property |
| η | 0.0005836 | Pa×s | 444.00 | Joback Calculated Property |
| η | 0.0003856 | Pa×s | 484.61 | Joback Calculated Property |
| η | 0.0002716 | Pa×s | 525.22 | Joback Calculated Property |
| η | 0.0002012 | Pa×s | 565.84 | Joback Calculated Property |
| η | 0.0001551 | Pa×s | 606.45 | Joback Calculated Property |
| η | 0.0001236 | Pa×s | 647.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Trichlorobenzyl alcohol, neopentyl ether.
Sources
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