- InChI
- InChI=1S/C12H11Cl5O3/c1-6(5-19-11(18)12(2,16)17)20-10-4-8(14)7(13)3-9(10)15/h3-4,6H,5H2,1-2H3
- InChI Key
- FYNTVSDGWGTGOI-UHFFFAOYSA-N
- Formula
- C12H11Cl5O3
- SMILES
-
CC(COC(=O)C(C)(Cl)Cl)Oc1cc(Cl)
c(Cl)cc1Cl - Molecular Weight1
- 380.48
- CAS
- 100062-67-7
- 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° | -264.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -558.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.38 | kJ/mol | Joback Calculated Property |
| log10WS | -5.63 | Crippen Calculated Property | |
| logPoct/wat | 5.151 | Crippen Calculated Property | |
| McVol | 230.690 | ml/mol | McGowan Calculated Property |
| Pc | 2041.91 | kPa | Joback Calculated Property |
| Tboil | 797.77 | K | Joback Calculated Property |
| Tc | 1035.05 | K | Joback Calculated Property |
| Tfus | 520.39 | K | Joback Calculated Property |
| Vc | 0.870 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [539.24; 585.01] | J/mol×K | [797.77; 1035.05] | 
|
| Cp,gas | 539.24 | J/mol×K | 797.77 | Joback Calculated Property |
| Cp,gas | 549.07 | J/mol×K | 837.32 | Joback Calculated Property |
| Cp,gas | 557.98 | J/mol×K | 876.86 | Joback Calculated Property |
| Cp,gas | 566.00 | J/mol×K | 916.41 | Joback Calculated Property |
| Cp,gas | 573.16 | J/mol×K | 955.96 | Joback Calculated Property |
| Cp,gas | 579.48 | J/mol×K | 995.51 | Joback Calculated Property |
| Cp,gas | 585.01 | J/mol×K | 1035.05 | Joback Calculated Property |
| η | [0.0000638; 0.0004566] | Pa×s | [520.39; 797.77] |
|
| η | 0.0004566 | Pa×s | 520.39 | Joback Calculated Property |
| η | 0.0002877 | Pa×s | 566.62 | Joback Calculated Property |
| η | 0.0001944 | Pa×s | 612.85 | Joback Calculated Property |
| η | 0.0001388 | Pa×s | 659.08 | Joback Calculated Property |
| η | 0.0001035 | Pa×s | 705.31 | Joback Calculated Property |
| η | 0.0000801 | Pa×s | 751.54 | Joback Calculated Property |
| η | 0.0000638 | Pa×s | 797.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(2,4,5-Trichlorophenoxy)propyl 2,2-dichloropropanoate.
Sources
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