- InChI
- InChI=1S/C12H10Cl6O3/c1-6(4-20-11(19)12(17,18)5-13)21-10-3-8(15)7(14)2-9(10)16/h2-3,6H,4-5H2,1H3
- InChI Key
- RZTWAUXNHFCSKX-UHFFFAOYSA-N
- Formula
- C12H10Cl6O3
- SMILES
-
CC(COC(=O)C(Cl)(Cl)CCl)Oc1cc(C
l)c(Cl)cc1Cl - Molecular Weight1
- 414.92
- CAS
- 100136-11-6
- 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).
- 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° | -276.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -574.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.76 | kJ/mol | Joback Calculated Property |
| log10WS | -5.78 | Crippen Calculated Property | |
| logPoct/wat | 5.370 | Crippen Calculated Property | |
| McVol | 242.930 | ml/mol | McGowan Calculated Property |
| Pc | 1975.31 | kPa | Joback Calculated Property |
| Tboil | 835.20 | K | Joback Calculated Property |
| Tc | 1074.78 | K | Joback Calculated Property |
| Tfus | 550.31 | K | Joback Calculated Property |
| Vc | 0.918 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.13; 597.57] | J/mol×K | [835.20; 1074.78] | 
|
| Cp,gas | 558.13 | J/mol×K | 835.20 | Joback Calculated Property |
| Cp,gas | 566.84 | J/mol×K | 875.13 | Joback Calculated Property |
| Cp,gas | 574.65 | J/mol×K | 915.06 | Joback Calculated Property |
| Cp,gas | 581.59 | J/mol×K | 954.99 | Joback Calculated Property |
| Cp,gas | 587.70 | J/mol×K | 994.92 | Joback Calculated Property |
| Cp,gas | 593.02 | J/mol×K | 1034.85 | Joback Calculated Property |
| Cp,gas | 597.57 | J/mol×K | 1074.78 | Joback Calculated Property |
| η | [0.0000540; 0.0003724] | Pa×s | [550.31; 835.20] |
|
| η | 0.0003724 | Pa×s | 550.31 | Joback Calculated Property |
| η | 0.0002375 | Pa×s | 597.79 | Joback Calculated Property |
| η | 0.0001618 | Pa×s | 645.27 | Joback Calculated Property |
| η | 0.0001162 | Pa×s | 692.75 | Joback Calculated Property |
| η | 0.0000871 | Pa×s | 740.24 | Joback Calculated Property |
| η | 0.0000676 | Pa×s | 787.72 | Joback Calculated Property |
| η | 0.0000540 | Pa×s | 835.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-2-(2,4,5-trichlorophenoxy)ethyl 2,2,3-trichloropropionate.
Sources
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