- InChI
- InChI=1S/C17H23ClO4/c1-14-8-4-5-9-15(14)22-17(20)11-10-16(19)21-13-7-3-2-6-12-18/h4-5,8-9H,2-3,6-7,10-13H2,1H3
- InChI Key
- SOAVOQPCGGGCSE-UHFFFAOYSA-N
- Formula
- C17H23ClO4
- SMILES
-
Cc1ccccc1OC(=O)CCC(=O)OCCCCCCC
l - Molecular Weight1
- 326.82
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -799.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.023 | Crippen Calculated Property | |
| McVol | 253.750 | ml/mol | McGowan Calculated Property |
| Inp | [2510.00; 2510.00] |
|
|
| Inp | 2510.00 | NIST | |
| Inp | 2510.00 | NIST | |
| Tboil | 622.38 | K | Relay (1.0) Calculated Property |
| Tfus | 295.65 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [720.79; 792.71] | J/mol×K | [774.09; 974.22] |
|
| Cp,gas | 720.79 | J/mol×K | 774.09 | Joback Calculated Property |
| Cp,gas | 735.42 | J/mol×K | 807.44 | Joback Calculated Property |
| Cp,gas | 748.97 | J/mol×K | 840.80 | Joback Calculated Property |
| Cp,gas | 761.45 | J/mol×K | 874.15 | Joback Calculated Property |
| Cp,gas | 772.89 | J/mol×K | 907.51 | Joback Calculated Property |
| Cp,gas | 783.30 | J/mol×K | 940.86 | Joback Calculated Property |
| Cp,gas | 792.71 | J/mol×K | 974.22 | Joback Calculated Property |
| η | [0.0000566; 0.0009943] | Pa×s | [434.87; 774.09] |
|
| η | 0.0009943 | Pa×s | 434.87 | Joback Calculated Property |
| η | 0.0004685 | Pa×s | 491.41 | Joback Calculated Property |
| η | 0.0002579 | Pa×s | 547.94 | Joback Calculated Property |
| η | 0.0001587 | Pa×s | 604.48 | Joback Calculated Property |
| η | 0.0001061 | Pa×s | 661.02 | Joback Calculated Property |
| η | 0.0000756 | Pa×s | 717.55 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 774.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-methylphenyl 6-chlorohexyl 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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