- InChI
- InChI=1S/C15H28O4/c1-6-12(4)9-10-18-14(16)7-8-15(17)19-13(5)11(2)3/h11-13H,6-10H2,1-5H3
- InChI Key
- WCCJAKLIAHCHNJ-UHFFFAOYSA-N
- Formula
- C15H28O4
- SMILES
-
CCC(C)CCOC(=O)CCC(=O)OC(C)C(C)
C - Molecular Weight1
- 272.38
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1008.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.75 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.334 | Crippen Calculated Property | |
| McVol | 237.090 | ml/mol | McGowan Calculated Property |
| Inp | [1718.00; 1718.00] |
|
|
| Inp | 1718.00 | NIST | |
| Inp | 1718.00 | NIST | |
| Tboil | 551.82 | K | Relay (1.0) Calculated Property |
| Tc | 725.79 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [355.42; 811.02] | 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 | 3.50250e+01 | |||
| Coefficient B | 1.33700e+00 | |||
| Coefficient C | -6.12600e-04 | |||
| Coefficient D | 5.16000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 355.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 433.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 504.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 568.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 625.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 675.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 718.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 755.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 786.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 811.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0082962; 0.0001134] | Pa×s | [298.47; 585.05] |
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 | -1.35558e+01 | |||
| Coefficient B | 2.61574e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 298.47 | |||
| Temperature range, max. | 585.05 | |||
| η | 0.0082962 | Pa×s | 298.47 | Calculated Property |
| η | 0.0035643 | Pa×s | 330.31 | Calculated Property |
| η | 0.0017766 | Pa×s | 362.15 | Calculated Property |
| η | 0.0009910 | Pa×s | 394.00 | Calculated Property |
| η | 0.0006032 | Pa×s | 425.84 | Calculated Property |
| η | 0.0003934 | Pa×s | 457.68 | Calculated Property |
| η | 0.0002713 | Pa×s | 489.52 | Calculated Property |
| η | 0.0001957 | Pa×s | 521.37 | Calculated Property |
| η | 0.0001466 | Pa×s | 553.21 | Calculated Property |
| η | 0.0001134 | Pa×s | 585.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbut-2-yl 3-methylpentyl 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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