- InChI
- InChI=1S/C17H32O4/c1-6-7-8-9-10-14(4)20-16(18)11-12-17(19)21-15(5)13(2)3/h13-15H,6-12H2,1-5H3
- InChI Key
- MBGALAIAJORNMC-UHFFFAOYSA-N
- Formula
- C17H32O4
- SMILES
-
CCCCCCC(C)OC(=O)CCC(=O)OC(C)C(
C)C - Molecular Weight1
- 300.44
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1049.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.256 | Crippen Calculated Property | |
| McVol | 265.270 | ml/mol | McGowan Calculated Property |
| Inp | 1834.00 | NIST | |
| Tboil | 560.55 | K | Relay (1.0) Calculated Property |
| Tc | 738.99 | K | Relay (1.0) Calculated Property |
| Tfus | 250.74 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [776.79; 870.11] | J/mol×K | [703.68; 880.95] | 
|
| Cp,gas | 776.79 | J/mol×K | 703.68 | Joback Calculated Property |
| Cp,gas | 794.73 | J/mol×K | 733.23 | Joback Calculated Property |
| Cp,gas | 811.70 | J/mol×K | 762.77 | Joback Calculated Property |
| Cp,gas | 827.71 | J/mol×K | 792.32 | Joback Calculated Property |
| Cp,gas | 842.77 | J/mol×K | 821.86 | Joback Calculated Property |
| Cp,gas | 856.90 | J/mol×K | 851.41 | Joback Calculated Property |
| Cp,gas | 870.11 | J/mol×K | 880.95 | Joback Calculated Property |
| η | [0.0000517; 0.0059722] | Pa×s | [321.01; 703.68] |
|
| η | 0.0059722 | Pa×s | 321.01 | Joback Calculated Property |
| η | 0.0014039 | Pa×s | 384.79 | Joback Calculated Property |
| η | 0.0004982 | Pa×s | 448.57 | Joback Calculated Property |
| η | 0.0002288 | Pa×s | 512.35 | Joback Calculated Property |
| η | 0.0001248 | Pa×s | 576.12 | Joback Calculated Property |
| η | 0.0000768 | Pa×s | 639.90 | Joback Calculated Property |
| η | 0.0000517 | Pa×s | 703.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methyl-2-butyl 2-octyl 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
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