- InChI
- InChI=1S/C12H15Cl3O/c1-2-3-4-5-16-8-10-11(14)6-9(13)7-12(10)15/h6-7H,2-5,8H2,1H3
- InChI Key
- AMCLMFVHNLMXSD-UHFFFAOYSA-N
- Formula
- C12H15Cl3O
- SMILES
- CCCCCOCc1c(Cl)cc(Cl)cc1Cl
- Molecular Weight1
- 281.61
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.6306 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -256.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.354 | Crippen Calculated Property | |
| McVol | 198.770 | ml/mol | McGowan Calculated Property |
| Pc | 2043.76 | kPa | Joback Calculated Property |
| Inp | 1814.00 | NIST | |
| Tboil | 573.84 | K | Relay (1.0) Calculated Property |
| Tc | 798.32 | K | Relay (1.0) Calculated Property |
| Tfus | 282.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.720 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.68; 523.53] | J/mol×K | [650.29; 863.25] | 
|
| Cp,gas | 455.68 | J/mol×K | 650.29 | Joback Calculated Property |
| Cp,gas | 468.81 | J/mol×K | 685.78 | Joback Calculated Property |
| Cp,gas | 481.19 | J/mol×K | 721.28 | Joback Calculated Property |
| Cp,gas | 492.84 | J/mol×K | 756.77 | Joback Calculated Property |
| Cp,gas | 503.77 | J/mol×K | 792.26 | Joback Calculated Property |
| Cp,gas | 513.99 | J/mol×K | 827.76 | Joback Calculated Property |
| Cp,gas | 523.53 | J/mol×K | 863.25 | Joback Calculated Property |
| η | [0.0001432; 0.0009292] | Pa×s | [400.97; 650.29] |
|
| η | 0.0009292 | Pa×s | 400.97 | Joback Calculated Property |
| η | 0.0005877 | Pa×s | 442.52 | Joback Calculated Property |
| η | 0.0004021 | Pa×s | 484.08 | Joback Calculated Property |
| η | 0.0002922 | Pa×s | 525.63 | Joback Calculated Property |
| η | 0.0002225 | Pa×s | 567.18 | Joback Calculated Property |
| η | 0.0001758 | Pa×s | 608.74 | Joback Calculated Property |
| η | 0.0001432 | Pa×s | 650.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Trichlorobenzyl alcohol, n-pentyl ether.
Sources
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