- InChI
- InChI=1S/C16H27Cl3O4/c1-13(2)11-22-14(20)9-7-5-3-4-6-8-10-15(21)23-12-16(17,18)19/h13H,3-12H2,1-2H3
- InChI Key
- AAKADIBGIUAMMB-UHFFFAOYSA-N
- Formula
- C16H27Cl3O4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)OCC(C
l)(Cl)Cl - Molecular Weight1
- 389.74
- 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° | -419.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -924.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.99 | kJ/mol | Joback Calculated Property |
| log10WS | -5.56 | Crippen Calculated Property | |
| logPoct/wat | 5.220 | Crippen Calculated Property | |
| McVol | 287.900 | ml/mol | McGowan Calculated Property |
| Pc | 1326.17 | kPa | Joback Calculated Property |
| Inp | [2373.00; 2373.00] |
|
|
| Inp | 2373.00 | NIST | |
| Inp | 2373.00 | NIST | |
| Tboil | 826.68 | K | Joback Calculated Property |
| Tc | 1024.91 | K | Joback Calculated Property |
| Tfus | 491.58 | K | Joback Calculated Property |
| Vc | 1.109 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [823.25; 893.80] | J/mol×K | [826.68; 1024.91] |
|
| Cp,gas | 823.25 | J/mol×K | 826.68 | Joback Calculated Property |
| Cp,gas | 837.28 | J/mol×K | 859.72 | Joback Calculated Property |
| Cp,gas | 850.36 | J/mol×K | 892.76 | Joback Calculated Property |
| Cp,gas | 862.52 | J/mol×K | 925.80 | Joback Calculated Property |
| Cp,gas | 873.79 | J/mol×K | 958.84 | Joback Calculated Property |
| Cp,gas | 884.21 | J/mol×K | 991.87 | Joback Calculated Property |
| Cp,gas | 893.80 | J/mol×K | 1024.91 | Joback Calculated Property |
| η | [0.0000437; 0.0006905] | Pa×s | [491.58; 826.68] |
|
| η | 0.0006905 | Pa×s | 491.58 | Joback Calculated Property |
| η | 0.0003448 | Pa×s | 547.43 | Joback Calculated Property |
| η | 0.0001958 | Pa×s | 603.28 | Joback Calculated Property |
| η | 0.0001224 | Pa×s | 659.13 | Joback Calculated Property |
| η | 0.0000823 | Pa×s | 714.98 | Joback Calculated Property |
| η | 0.0000587 | Pa×s | 770.83 | Joback Calculated Property |
| η | 0.0000437 | Pa×s | 826.68 | Joback Calculated Property |
Similar Compounds
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Sources
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