- InChI
- InChI=1S/C12H19Cl3O4/c1-9(2)7-18-10(16)5-3-4-6-11(17)19-8-12(13,14)15/h9H,3-8H2,1-2H3
- InChI Key
- WCZCRIWZFCEPMP-UHFFFAOYSA-N
- Formula
- C12H19Cl3O4
- SMILES
-
CC(C)COC(=O)CCCCC(=O)OCC(Cl)(C
l)Cl - Molecular Weight1
- 333.64
- 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° | -453.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -841.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.09 | kJ/mol | Joback Calculated Property |
| log10WS | -3.89 | Crippen Calculated Property | |
| logPoct/wat | 3.659 | Crippen Calculated Property | |
| McVol | 231.540 | ml/mol | McGowan Calculated Property |
| Pc | 1792.42 | kPa | Joback Calculated Property |
| Inp | [1919.00; 1919.00] |
|
|
| Inp | 1919.00 | NIST | |
| Inp | 1919.00 | NIST | |
| Tboil | 735.16 | K | Joback Calculated Property |
| Tc | 935.81 | K | Joback Calculated Property |
| Tfus | 446.50 | K | Joback Calculated Property |
| Vc | 0.885 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [602.09; 665.61] | J/mol×K | [735.16; 935.81] |
|
| Cp,gas | 602.09 | J/mol×K | 735.16 | Joback Calculated Property |
| Cp,gas | 614.67 | J/mol×K | 768.60 | Joback Calculated Property |
| Cp,gas | 626.42 | J/mol×K | 802.04 | Joback Calculated Property |
| Cp,gas | 637.37 | J/mol×K | 835.49 | Joback Calculated Property |
| Cp,gas | 647.53 | J/mol×K | 868.93 | Joback Calculated Property |
| Cp,gas | 656.94 | J/mol×K | 902.37 | Joback Calculated Property |
| Cp,gas | 665.61 | J/mol×K | 935.81 | Joback Calculated Property |
| η | [0.0000823; 0.0011206] | Pa×s | [446.50; 735.16] |
|
| η | 0.0011206 | Pa×s | 446.50 | Joback Calculated Property |
| η | 0.0005868 | Pa×s | 494.61 | Joback Calculated Property |
| η | 0.0003447 | Pa×s | 542.72 | Joback Calculated Property |
| η | 0.0002208 | Pa×s | 590.83 | Joback Calculated Property |
| η | 0.0001512 | Pa×s | 638.94 | Joback Calculated Property |
| η | 0.0001092 | Pa×s | 687.05 | Joback Calculated Property |
| η | 0.0000823 | Pa×s | 735.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, isobutyl 2,2,2-trichloroethyl ester.
Sources
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