- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [376.63; 862.62] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.41160e+01 | |||
| Coefficient B | 1.43200e+00 | |||
| Coefficient C | -6.67000e-04 | |||
| Coefficient D | 6.35000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 376.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 460.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 535.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 603.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 664.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 717.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 763.82 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 803.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 836.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 862.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0070437; 0.0001017] | Pa×s | [309.74; 600.70] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.37046e+01 | |||
| Coefficient B | 2.70990e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 309.74 | |||
| Temperature range, max. | 600.70 | |||
| η | 0.0070437 | Pa×s | 309.74 | Calculated Property |
| η | 0.0030810 | Pa×s | 342.07 | Calculated Property |
| η | 0.0015546 | Pa×s | 374.40 | Calculated Property |
| η | 0.0008745 | Pa×s | 406.73 | Calculated Property |
| η | 0.0005354 | Pa×s | 439.06 | Calculated Property |
| η | 0.0003506 | Pa×s | 471.39 | Calculated Property |
| η | 0.0002424 | Pa×s | 503.72 | Calculated Property |
| η | 0.0001753 | Pa×s | 536.05 | Calculated Property |
| η | 0.0001315 | Pa×s | 568.37 | Calculated Property |
| η | 0.0001017 | Pa×s | 600.70 | 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
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