- InChI
- InChI=1S/C16H21Cl3O3/c1-11(2)6-4-3-5-7-21-16(20)10-22-15-9-13(18)12(17)8-14(15)19/h8-9,11H,3-7,10H2,1-2H3
- InChI Key
- LRDPQMJVRJVAOH-UHFFFAOYSA-N
- Formula
- C16H21Cl3O3
- SMILES
-
CC(C)CCCCCOC(=O)COc1cc(Cl)c(Cl
)cc1Cl - Molecular Weight1
- 367.69
- CAS
- 116436-47-6
- 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° | -209.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -600.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.80 | kJ/mol | Joback Calculated Property |
| log10WS | -6.03 | Crippen Calculated Property | |
| logPoct/wat | 5.785 | Crippen Calculated Property | |
| McVol | 262.570 | ml/mol | McGowan Calculated Property |
| Pc | 1547.57 | kPa | Joback Calculated Property |
| Tboil | 817.66 | K | Joback Calculated Property |
| Tc | 1028.55 | K | Joback Calculated Property |
| Tfus | 503.21 | K | Joback Calculated Property |
| Vc | 1.006 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [709.62; 775.36] | J/mol×K | [817.66; 1028.55] | 
|
| Cp,gas | 709.62 | J/mol×K | 817.66 | Joback Calculated Property |
| Cp,gas | 723.04 | J/mol×K | 852.81 | Joback Calculated Property |
| Cp,gas | 735.46 | J/mol×K | 887.96 | Joback Calculated Property |
| Cp,gas | 746.89 | J/mol×K | 923.11 | Joback Calculated Property |
| Cp,gas | 757.34 | J/mol×K | 958.26 | Joback Calculated Property |
| Cp,gas | 766.83 | J/mol×K | 993.40 | Joback Calculated Property |
| Cp,gas | 775.36 | J/mol×K | 1028.55 | Joback Calculated Property |
| η | [0.0000607; 0.0004920] | Pa×s | [503.21; 817.66] |
|
| η | 0.0004920 | Pa×s | 503.21 | Joback Calculated Property |
| η | 0.0002944 | Pa×s | 555.62 | Joback Calculated Property |
| η | 0.0001925 | Pa×s | 608.03 | Joback Calculated Property |
| η | 0.0001347 | Pa×s | 660.43 | Joback Calculated Property |
| η | 0.0000993 | Pa×s | 712.84 | Joback Calculated Property |
| η | 0.0000763 | Pa×s | 765.25 | Joback Calculated Property |
| η | 0.0000607 | Pa×s | 817.66 | Joback Calculated Property |
Similar Compounds
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Sources
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