- InChI
- InChI=1S/C16H30O4/c1-6-8-9-14(7-2)20-16(18)11-10-15(17)19-13(5)12(3)4/h12-14H,6-11H2,1-5H3
- InChI Key
- VQEKLZNFIHSGNJ-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
-
CCCCC(CC)OC(=O)CCC(=O)OC(C)C(C
)C - Molecular Weight1
- 286.41
- 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).
- Tc : Critical 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 | -1027.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.98 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.866 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Inp | [1734.00; 1734.00] |
|
|
| Inp | 1734.00 | NIST | |
| Inp | 1734.00 | NIST | |
| Tboil | 554.81 | K | Relay (1.0) Calculated Property |
| Tc | 727.51 | K | Relay (1.0) Calculated Property |
| Tfus | 230.94 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [719.91; 811.92] | J/mol×K | [680.80; 858.15] |
|
| Cp,gas | 719.91 | J/mol×K | 680.80 | Joback Calculated Property |
| Cp,gas | 737.54 | J/mol×K | 710.36 | Joback Calculated Property |
| Cp,gas | 754.23 | J/mol×K | 739.92 | Joback Calculated Property |
| Cp,gas | 770.01 | J/mol×K | 769.47 | Joback Calculated Property |
| Cp,gas | 784.88 | J/mol×K | 799.03 | Joback Calculated Property |
| Cp,gas | 798.84 | J/mol×K | 828.59 | Joback Calculated Property |
| Cp,gas | 811.92 | J/mol×K | 858.15 | Joback Calculated Property |
| η | [0.0000598; 0.0070437] | Pa×s | [309.74; 680.80] |
|
| η | 0.0070437 | Pa×s | 309.74 | Joback Calculated Property |
| η | 0.0016422 | Pa×s | 371.58 | Joback Calculated Property |
| η | 0.0005801 | Pa×s | 433.43 | Joback Calculated Property |
| η | 0.0002657 | Pa×s | 495.27 | Joback Calculated Property |
| η | 0.0001448 | Pa×s | 557.11 | Joback Calculated Property |
| η | 0.0000890 | Pa×s | 618.96 | Joback Calculated Property |
| η | 0.0000598 | Pa×s | 680.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbut-2-yl 3-heptyl 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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