- InChI
- InChI=1S/C16H22Cl2O3/c1-12(2)6-4-3-5-9-20-16(19)11-21-15-8-7-13(17)10-14(15)18/h7-8,10,12H,3-6,9,11H2,1-2H3
- InChI Key
- BBPLSOGERZQYQC-UHFFFAOYSA-N
- Formula
- C16H22Cl2O3
- SMILES
-
CC(C)CCCCCOC(=O)COc1ccc(Cl)cc1
Cl - Molecular Weight1
- 333.25
- CAS
- 3035-67-4
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8253 | Relay (... Calculated Property | |
| ΔfG° | -188.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -641.75 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.51 | kJ/mol | Relay (... Calculated Property |
| IE | 8.45 | eV | Relay (... Calculated Property |
| log10WS | -5.81 | Relay (... Calculated Property | |
| logPoct/wat | 5.132 | Crippen Calculated Property | |
| McVol | 250.330 | ml/mol | McGowan Calculated Property |
| Pc | 1612.88 | kPa | Joback Calculated Property |
| Tboil | 616.29 | K | Relay (... Calculated Property |
| Tc | 827.88 | K | Relay (... Calculated Property |
| Tfus | 324.85 | K | Relay (... Calculated Property |
| Vc | 0.912 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [685.13; 758.39] | J/mol×K | [775.25; 981.60] | 
|
| Cp,gas | 685.13 | J/mol×K | 775.25 | Joback Calculated Property |
| Cp,gas | 699.76 | J/mol×K | 809.64 | Joback Calculated Property |
| Cp,gas | 713.41 | J/mol×K | 844.03 | Joback Calculated Property |
| Cp,gas | 726.08 | J/mol×K | 878.43 | Joback Calculated Property |
| Cp,gas | 737.79 | J/mol×K | 912.82 | Joback Calculated Property |
| Cp,gas | 748.56 | J/mol×K | 947.21 | Joback Calculated Property |
| Cp,gas | 758.39 | J/mol×K | 981.60 | Joback Calculated Property |
| η | [0.0000691; 0.0006928] | Pa×s | [460.77; 775.25] |
|
| η | 0.0006928 | Pa×s | 460.77 | Joback Calculated Property |
| η | 0.0003877 | Pa×s | 513.18 | Joback Calculated Property |
| η | 0.0002416 | Pa×s | 565.60 | Joback Calculated Property |
| η | 0.0001632 | Pa×s | 618.01 | Joback Calculated Property |
| η | 0.0001172 | Pa×s | 670.42 | Joback Calculated Property |
| η | 0.0000883 | Pa×s | 722.84 | Joback Calculated Property |
| η | 0.0000691 | Pa×s | 775.25 | Joback Calculated Property |
Similar Compounds
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Sources
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