- InChI
- InChI=1S/C20H29ClO5/c1-24-18-10-8-17(9-11-18)16-26-20(23)13-12-19(22)25-15-7-5-3-2-4-6-14-21/h8-11H,2-7,12-16H2,1H3
- InChI Key
- VFRPABTUMGHZMC-UHFFFAOYSA-N
- Formula
- C20H29ClO5
- SMILES
-
COc1ccc(COC(=O)CCC(=O)OCCCCCCC
CCl)cc1 - Molecular Weight1
- 384.89
- 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 | -960.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.641 | Crippen Calculated Property | |
| McVol | 301.890 | ml/mol | McGowan Calculated Property |
| Inp | [3008.00; 3008.00] |
|
|
| Inp | 3008.00 | NIST | |
| Inp | 3008.00 | NIST | |
| Tboil | 660.67 | K | Relay (1.0) Calculated Property |
| Tfus | 300.70 | 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 | [921.41; 990.46] | J/mol×K | [865.15; 1066.65] |
|
| Cp,gas | 921.41 | J/mol×K | 865.15 | Joback Calculated Property |
| Cp,gas | 936.06 | J/mol×K | 898.73 | Joback Calculated Property |
| Cp,gas | 949.44 | J/mol×K | 932.32 | Joback Calculated Property |
| Cp,gas | 961.55 | J/mol×K | 965.90 | Joback Calculated Property |
| Cp,gas | 972.41 | J/mol×K | 999.48 | Joback Calculated Property |
| Cp,gas | 982.04 | J/mol×K | 1033.07 | Joback Calculated Property |
| Cp,gas | 990.46 | J/mol×K | 1066.65 | Joback Calculated Property |
| η | [0.0000270; 0.0004735] | Pa×s | [490.91; 865.15] |
|
| η | 0.0004735 | Pa×s | 490.91 | Joback Calculated Property |
| η | 0.0002245 | Pa×s | 553.28 | Joback Calculated Property |
| η | 0.0001239 | Pa×s | 615.66 | Joback Calculated Property |
| η | 0.0000762 | Pa×s | 678.03 | Joback Calculated Property |
| η | 0.0000509 | Pa×s | 740.40 | Joback Calculated Property |
| η | 0.0000362 | Pa×s | 802.78 | Joback Calculated Property |
| η | 0.0000270 | Pa×s | 865.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 8-chlorooctyl 4-methoxybenzyl 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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