- InChI
- InChI=1S/C14H24O4/c1-5-6-7-10-17-13(15)8-9-14(16)18-12(4)11(2)3/h5,11-12H,1,6-10H2,2-4H3
- InChI Key
- AWDDIXPQNYQZBZ-UHFFFAOYSA-N
- Formula
- C14H24O4
- SMILES
- C=CCCCOC(=O)CCC(=O)OC(C)C(C)C
- Molecular Weight1
- 256.34
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -871.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.39 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.864 | Crippen Calculated Property | |
| McVol | 218.700 | ml/mol | McGowan Calculated Property |
| Inp | [1647.00; 1647.00] |
|
|
| Inp | 1647.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Tboil | 555.37 | 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, 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 | [324.71; 730.38] | 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 | 3.46250e+01 | |||
| Coefficient B | 1.21606e+00 | |||
| Coefficient C | -5.77900e-04 | |||
| Coefficient D | 5.76000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 324.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 395.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 458.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 515.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 566.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 610.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 649.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 681.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 708.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 730.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0061194; 0.0001385] | Pa×s | [300.44; 567.50] |
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 | -1.31465e+01 | |||
| Coefficient B | 2.41860e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 300.44 | |||
| Temperature range, max. | 567.50 | |||
| η | 0.0061194 | Pa×s | 300.44 | Calculated Property |
| η | 0.0029678 | Pa×s | 330.11 | Calculated Property |
| η | 0.0016218 | Pa×s | 359.79 | Calculated Property |
| η | 0.0009718 | Pa×s | 389.46 | Calculated Property |
| η | 0.0006261 | Pa×s | 419.14 | Calculated Property |
| η | 0.0004275 | Pa×s | 448.81 | Calculated Property |
| η | 0.0003060 | Pa×s | 478.48 | Calculated Property |
| η | 0.0002278 | Pa×s | 508.16 | Calculated Property |
| η | 0.0001752 | Pa×s | 537.83 | Calculated Property |
| η | 0.0001385 | Pa×s | 567.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbut-2-yl pent-4-en-1-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
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