- InChI
- InChI=1S/C16H19Cl3O4/c1-10(2)9-22-15(20)5-3-4-6-16(21)23-14-8-12(18)11(17)7-13(14)19/h7-8,10H,3-6,9H2,1-2H3
- InChI Key
- VTWBJIHSUCCXGM-UHFFFAOYSA-N
- Formula
- C16H19Cl3O4
- SMILES
-
CC(C)COC(=O)CCCCC(=O)Oc1cc(Cl)
c(Cl)cc1Cl - Molecular Weight1
- 381.68
- 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° | -338.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -713.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.55 | kJ/mol | Joback Calculated Property |
| log10WS | -5.81 | Crippen Calculated Property | |
| logPoct/wat | 5.312 | Crippen Calculated Property | |
| McVol | 264.140 | ml/mol | McGowan Calculated Property |
| Pc | 1627.22 | kPa | Joback Calculated Property |
| Inp | [2504.00; 2504.00] |
|
|
| Inp | 2504.00 | NIST | |
| Inp | 2504.00 | NIST | |
| Tboil | 871.53 | K | Joback Calculated Property |
| Tc | 1089.08 | K | Joback Calculated Property |
| Tfus | 553.14 | K | Joback Calculated Property |
| Vc | 1.012 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [720.95; 775.20] | J/mol×K | [871.53; 1089.08] |
|
| Cp,gas | 720.95 | J/mol×K | 871.53 | Joback Calculated Property |
| Cp,gas | 732.62 | J/mol×K | 907.79 | Joback Calculated Property |
| Cp,gas | 743.22 | J/mol×K | 944.05 | Joback Calculated Property |
| Cp,gas | 752.77 | J/mol×K | 980.31 | Joback Calculated Property |
| Cp,gas | 761.28 | J/mol×K | 1016.56 | Joback Calculated Property |
| Cp,gas | 768.76 | J/mol×K | 1052.82 | Joback Calculated Property |
| Cp,gas | 775.20 | J/mol×K | 1089.08 | Joback Calculated Property |
| η | [0.0000584; 0.0004193] | Pa×s | [553.14; 871.53] |
|
| η | 0.0004193 | Pa×s | 553.14 | Joback Calculated Property |
| η | 0.0002614 | Pa×s | 606.20 | Joback Calculated Property |
| η | 0.0001759 | Pa×s | 659.27 | Joback Calculated Property |
| η | 0.0001255 | Pa×s | 712.34 | Joback Calculated Property |
| η | 0.0000939 | Pa×s | 765.40 | Joback Calculated Property |
| η | 0.0000729 | Pa×s | 818.46 | Joback Calculated Property |
| η | 0.0000584 | Pa×s | 871.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, isobutyl 2,4,5-trichlorophenyl ester.
Sources
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