- InChI
- InChI=1S/C20H34O4/c1-5-9-11-13-17(7-3)23-19(21)15-16-20(22)24-18(8-4)14-12-10-6-2/h7-8,17-18H,3-6,9-16H2,1-2H3
- InChI Key
- YLCZESIFSRBOAP-UHFFFAOYSA-N
- Formula
- C20H34O4
- SMILES
-
C=CC(CCCCC)OC(=O)CCC(=O)OC(C=C
)CCCCC - Molecular Weight1
- 338.49
- 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 | -917.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.37 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.123 | Crippen Calculated Property | |
| McVol | 298.940 | ml/mol | McGowan Calculated Property |
| Inp | [2122.00; 2122.00] |
|
|
| Inp | 2122.00 | NIST | |
| Inp | 2122.00 | NIST | |
| Tboil | 610.75 | K | Relay (1.0) Calculated Property |
| Tc | 762.35 | K | Relay (1.0) Calculated Property |
| Tfus | 248.73 | 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 | [442.18; 1011.42] | 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 | 2.61800e+01 | |||
| Coefficient B | 1.76604e+00 | |||
| Coefficient C | -9.27200e-04 | |||
| Coefficient D | 1.46400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 442.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 541.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 630.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 710.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 780.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 842.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 895.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 941.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 979.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1011.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025844; 0.0000732] | Pa×s | [366.30; 662.83] |
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 | -1.39255e+01 | |||
| Coefficient B | 2.91840e+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. | 366.30 | |||
| Temperature range, max. | 662.83 | |||
| η | 0.0025844 | Pa×s | 366.30 | Calculated Property |
| η | 0.0013391 | Pa×s | 399.25 | Calculated Property |
| η | 0.0007670 | Pa×s | 432.20 | Calculated Property |
| η | 0.0004754 | Pa×s | 465.14 | Calculated Property |
| η | 0.0003139 | Pa×s | 498.09 | Calculated Property |
| η | 0.0002182 | Pa×s | 531.04 | Calculated Property |
| η | 0.0001583 | Pa×s | 563.99 | Calculated Property |
| η | 0.0001190 | Pa×s | 596.94 | Calculated Property |
| η | 0.0000921 | Pa×s | 629.88 | Calculated Property |
| η | 0.0000732 | Pa×s | 662.83 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(oct-1-en-3-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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