- InChI
- InChI=1S/C19H27ClO4/c1-14(2)7-6-12-23-18(21)8-4-5-9-19(22)24-17-13-15(3)10-11-16(17)20/h10-11,13-14H,4-9,12H2,1-3H3
- InChI Key
- HWCPTZSIRRNGSL-UHFFFAOYSA-N
- Formula
- C19H27ClO4
- SMILES
-
Cc1ccc(Cl)c(OC(=O)CCCCC(=O)OCC
CC(C)C)c1 - Molecular Weight1
- 354.87
- 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 | -879.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.37 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.094 | Crippen Calculated Property | |
| McVol | 281.930 | ml/mol | McGowan Calculated Property |
| Inp | [2492.00; 2492.00] |
|
|
| Inp | 2492.00 | NIST | |
| Inp | 2492.00 | NIST | |
| Tboil | 631.29 | 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 | [845.93; 917.86] | J/mol×K | [860.33; 1067.39] |
|
| Cp,gas | 845.93 | J/mol×K | 860.33 | Joback Calculated Property |
| Cp,gas | 860.72 | J/mol×K | 894.84 | Joback Calculated Property |
| Cp,gas | 874.36 | J/mol×K | 929.35 | Joback Calculated Property |
| Cp,gas | 886.88 | J/mol×K | 963.86 | Joback Calculated Property |
| Cp,gas | 898.29 | J/mol×K | 998.37 | Joback Calculated Property |
| Cp,gas | 908.61 | J/mol×K | 1032.88 | Joback Calculated Property |
| Cp,gas | 917.86 | J/mol×K | 1067.39 | Joback Calculated Property |
| η | [0.0000507; 0.0005178] | Pa×s | [514.59; 860.33] |
|
| η | 0.0005178 | Pa×s | 514.59 | Joback Calculated Property |
| η | 0.0002892 | Pa×s | 572.21 | Joback Calculated Property |
| η | 0.0001797 | Pa×s | 629.84 | Joback Calculated Property |
| η | 0.0001209 | Pa×s | 687.46 | Joback Calculated Property |
| η | 0.0000865 | Pa×s | 745.08 | Joback Calculated Property |
| η | 0.0000650 | Pa×s | 802.71 | Joback Calculated Property |
| η | 0.0000507 | Pa×s | 860.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 2-chloro-5-methylphenyl isohexyl 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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