- InChI
- InChI=1S/C19H28O4/c1-4-17(15(2)3)23-19(21)13-12-18(20)22-14-8-11-16-9-6-5-7-10-16/h5-7,9-10,15,17H,4,8,11-14H2,1-3H3
- InChI Key
- JXXRZJVYNRCMMC-UHFFFAOYSA-N
- Formula
- C19H28O4
- SMILES
-
CCC(OC(=O)CCC(=O)OCCCc1ccccc1)
C(C)C - Molecular Weight1
- 320.43
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 |
|---|---|---|---|
| ΔfusH° | 40.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.920 | Crippen Calculated Property | |
| McVol | 269.690 | ml/mol | McGowan Calculated Property |
| Inp | [2272.00; 2272.00] |
|
|
| Inp | 2272.00 | NIST | |
| Inp | 2272.00 | NIST | |
| Tboil | 633.66 | K | Relay (1.0) Calculated Property |
| Tfus | 273.90 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [807.73; 890.73] | J/mol×K | [776.56; 974.97] |
|
| Cp,gas | 807.73 | J/mol×K | 776.56 | Joback Calculated Property |
| Cp,gas | 824.51 | J/mol×K | 809.63 | Joback Calculated Property |
| Cp,gas | 840.06 | J/mol×K | 842.70 | Joback Calculated Property |
| Cp,gas | 854.44 | J/mol×K | 875.76 | Joback Calculated Property |
| Cp,gas | 867.66 | J/mol×K | 908.83 | Joback Calculated Property |
| Cp,gas | 879.74 | J/mol×K | 941.90 | Joback Calculated Property |
| Cp,gas | 890.73 | J/mol×K | 974.97 | Joback Calculated Property |
| η | [0.0000414; 0.0020751] | Pa×s | [384.97; 776.56] |
|
| η | 0.0020751 | Pa×s | 384.97 | Joback Calculated Property |
| η | 0.0006736 | Pa×s | 450.24 | Joback Calculated Property |
| η | 0.0002907 | Pa×s | 515.50 | Joback Calculated Property |
| η | 0.0001516 | Pa×s | 580.76 | Joback Calculated Property |
| η | 0.0000901 | Pa×s | 646.03 | Joback Calculated Property |
| η | 0.0000590 | Pa×s | 711.29 | Joback Calculated Property |
| η | 0.0000414 | Pa×s | 776.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-methylpent-3-yl 3-phenylpropyl 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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