- InChI
- InChI=1S/C19H34O4/c1-5-8-10-12-16(4)22-18(20)14-15-19(21)23-17(7-3)13-11-9-6-2/h7,16-17H,3,5-6,8-15H2,1-2,4H3
- InChI Key
- ZDGHTIKWPYSZIW-UHFFFAOYSA-N
- Formula
- C19H34O4
- SMILES
-
C=CC(CCCCC)OC(=O)CCC(=O)OC(C)C
CCCC - Molecular Weight1
- 326.48
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -975.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.957 | Crippen Calculated Property | |
| McVol | 289.150 | ml/mol | McGowan Calculated Property |
| Inp | [2063.00; 2063.00] |
|
|
| Inp | 2063.00 | NIST | |
| Inp | 2063.00 | NIST | |
| Tboil | 595.86 | 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, 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 | [867.59; 959.74] | J/mol×K | [746.56; 924.87] |
|
| Cp,gas | 867.59 | J/mol×K | 746.56 | Joback Calculated Property |
| Cp,gas | 885.44 | J/mol×K | 776.28 | Joback Calculated Property |
| Cp,gas | 902.26 | J/mol×K | 806.00 | Joback Calculated Property |
| Cp,gas | 918.09 | J/mol×K | 835.72 | Joback Calculated Property |
| Cp,gas | 932.93 | J/mol×K | 865.44 | Joback Calculated Property |
| Cp,gas | 946.81 | J/mol×K | 895.15 | Joback Calculated Property |
| Cp,gas | 959.74 | J/mol×K | 924.87 | Joback Calculated Property |
| η | [0.0000441; 0.0030236] | Pa×s | [356.79; 746.56] |
|
| η | 0.0030236 | Pa×s | 356.79 | Joback Calculated Property |
| η | 0.0008685 | Pa×s | 421.75 | Joback Calculated Property |
| η | 0.0003481 | Pa×s | 486.71 | Joback Calculated Property |
| η | 0.0001730 | Pa×s | 551.67 | Joback Calculated Property |
| η | 0.0000996 | Pa×s | 616.64 | Joback Calculated Property |
| η | 0.0000638 | Pa×s | 681.60 | Joback Calculated Property |
| η | 0.0000441 | Pa×s | 746.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl oct-1-en-3-yl 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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