- InChI
- InChI=1S/C14H23Cl3O4/c1-11(2)6-5-9-20-12(18)7-3-4-8-13(19)21-10-14(15,16)17/h11H,3-10H2,1-2H3
- InChI Key
- OGDSRLIYUZDTOX-UHFFFAOYSA-N
- Formula
- C14H23Cl3O4
- SMILES
-
CC(C)CCCOC(=O)CCCCC(=O)OCC(Cl)
(Cl)Cl - Molecular Weight1
- 361.69
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8086 | Relay (1.0) Calculated Property | |
| ΔfG° | -436.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1014.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.440 | Crippen Calculated Property | |
| McVol | 259.720 | ml/mol | McGowan Calculated Property |
| Pc | 1533.06 | kPa | Joback Calculated Property |
| Inp | 2122.00 | NIST | |
| Tboil | 596.88 | K | Relay (1.0) Calculated Property |
| Tc | 781.02 | K | Relay (1.0) Calculated Property |
| Tfus | 314.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.954 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [710.63; 778.05] | J/mol×K | [780.92; 979.19] | 
|
| Cp,gas | 710.63 | J/mol×K | 780.92 | Joback Calculated Property |
| Cp,gas | 724.00 | J/mol×K | 813.97 | Joback Calculated Property |
| Cp,gas | 736.48 | J/mol×K | 847.01 | Joback Calculated Property |
| Cp,gas | 748.09 | J/mol×K | 880.06 | Joback Calculated Property |
| Cp,gas | 758.88 | J/mol×K | 913.10 | Joback Calculated Property |
| Cp,gas | 768.85 | J/mol×K | 946.15 | Joback Calculated Property |
| Cp,gas | 778.05 | J/mol×K | 979.19 | Joback Calculated Property |
| η | [0.0000602; 0.0008856] | Pa×s | [469.04; 780.92] |
|
| η | 0.0008856 | Pa×s | 469.04 | Joback Calculated Property |
| η | 0.0004524 | Pa×s | 521.02 | Joback Calculated Property |
| η | 0.0002611 | Pa×s | 573.00 | Joback Calculated Property |
| η | 0.0001651 | Pa×s | 624.98 | Joback Calculated Property |
| η | 0.0001120 | Pa×s | 676.96 | Joback Calculated Property |
| η | 0.0000803 | Pa×s | 728.94 | Joback Calculated Property |
| η | 0.0000602 | Pa×s | 780.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, isohexyl 2,2,2-trichloroethyl ester.
Sources
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