- InChI
- InChI=1S/C21H30Cl2O4/c1-16(2)14-26-19(24)12-7-5-3-4-6-8-13-20(25)27-15-17-10-9-11-18(22)21(17)23/h9-11,16H,3-8,12-15H2,1-2H3
- InChI Key
- JLGVSZYEVPYRIK-UHFFFAOYSA-N
- Formula
- C21H30Cl2O4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)OCc1c
ccc(Cl)c1Cl - Molecular Weight1
- 417.37
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -275.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -789.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.63 | kJ/mol | Joback Calculated Property |
| log10WS | -7.06 | Crippen Calculated Property | |
| logPoct/wat | 6.357 | Crippen Calculated Property | |
| McVol | 322.350 | ml/mol | McGowan Calculated Property |
| Pc | 1183.34 | kPa | Joback Calculated Property |
| Inp | [2921.00; 2921.00] |
|
|
| Inp | 2921.00 | NIST | |
| Inp | 2921.00 | NIST | |
| Tboil | 943.52 | K | Joback Calculated Property |
| Tc | 1158.79 | K | Joback Calculated Property |
| Tfus | 567.05 | K | Joback Calculated Property |
| Vc | 1.244 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [988.90; 1053.96] | J/mol×K | [943.52; 1158.79] |
|
| Cp,gas | 988.90 | J/mol×K | 943.52 | Joback Calculated Property |
| Cp,gas | 1002.83 | J/mol×K | 979.40 | Joback Calculated Property |
| Cp,gas | 1015.48 | J/mol×K | 1015.28 | Joback Calculated Property |
| Cp,gas | 1026.90 | J/mol×K | 1051.16 | Joback Calculated Property |
| Cp,gas | 1037.09 | J/mol×K | 1087.04 | Joback Calculated Property |
| Cp,gas | 1046.10 | J/mol×K | 1122.92 | Joback Calculated Property |
| Cp,gas | 1053.96 | J/mol×K | 1158.79 | Joback Calculated Property |
| η | [0.0000322; 0.0003367] | Pa×s | [567.05; 943.52] |
|
| η | 0.0003367 | Pa×s | 567.05 | Joback Calculated Property |
| η | 0.0001874 | Pa×s | 629.79 | Joback Calculated Property |
| η | 0.0001159 | Pa×s | 692.54 | Joback Calculated Property |
| η | 0.0000777 | Pa×s | 755.28 | Joback Calculated Property |
| η | 0.0000554 | Pa×s | 818.03 | Joback Calculated Property |
| η | 0.0000414 | Pa×s | 880.77 | Joback Calculated Property |
| η | 0.0000322 | Pa×s | 943.52 | Joback Calculated Property |
Similar Compounds
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Sources
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