- InChI
- InChI=1S/C16H19Cl3O4/c1-10(2)4-3-9-22-13(20)7-8-14(21)23-16-12(18)6-5-11(17)15(16)19/h5-6,10H,3-4,7-9H2,1-2H3
- InChI Key
- YYGDLSDNSCQSND-UHFFFAOYSA-N
- Formula
- C16H19Cl3O4
- SMILES
-
CC(C)CCCOC(=O)CCC(=O)Oc1c(Cl)c
cc(Cl)c1Cl - Molecular Weight1
- 381.68
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -825.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.39 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.312 | Crippen Calculated Property | |
| McVol | 264.140 | ml/mol | McGowan Calculated Property |
| Inp | [2468.00; 2468.00] |
|
|
| Inp | 2468.00 | NIST | |
| Inp | 2468.00 | NIST | |
| Tboil | 619.04 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [713.12; 767.79] | J/mol×K | [835.59; 1048.93] |
|
| Cp,gas | 713.12 | J/mol×K | 835.59 | Joback Calculated Property |
| Cp,gas | 724.98 | J/mol×K | 871.15 | Joback Calculated Property |
| Cp,gas | 735.73 | J/mol×K | 906.70 | Joback Calculated Property |
| Cp,gas | 745.37 | J/mol×K | 942.26 | Joback Calculated Property |
| Cp,gas | 753.92 | J/mol×K | 977.81 | Joback Calculated Property |
| Cp,gas | 761.39 | J/mol×K | 1013.37 | Joback Calculated Property |
| Cp,gas | 767.79 | J/mol×K | 1048.93 | Joback Calculated Property |
| η | [0.0000450; 0.0005544] | Pa×s | [493.48; 835.59] |
|
| η | 0.0005544 | Pa×s | 493.48 | Joback Calculated Property |
| η | 0.0002936 | Pa×s | 550.50 | Joback Calculated Property |
| η | 0.0001752 | Pa×s | 607.52 | Joback Calculated Property |
| η | 0.0001143 | Pa×s | 664.53 | Joback Calculated Property |
| η | 0.0000797 | Pa×s | 721.55 | Joback Calculated Property |
| η | 0.0000586 | Pa×s | 778.57 | Joback Calculated Property |
| η | 0.0000450 | Pa×s | 835.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, isohexyl 2,3,6-trichlorophenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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