- InChI
- InChI=1S/C20H36O4/c1-4-6-8-10-11-12-14-18(3)24-20(22)16-15-19(21)23-17-13-9-7-5-2/h9,13,18H,4-8,10-12,14-17H2,1-3H3/b13-9-
- InChI Key
- BXOLVHPBZSKMHV-LCYFTJDESA-N
- Formula
- C20H36O4
- SMILES
-
CCCC=CCOC(=O)CCC(=O)OC(C)CCCCC
CCC - Molecular Weight1
- 340.50
- 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 | -1006.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.12 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.348 | Crippen Calculated Property | |
| McVol | 303.240 | ml/mol | McGowan Calculated Property |
| Inp | [2270.00; 2270.00] |
|
|
| Inp | 2270.00 | NIST | |
| Inp | 2270.00 | NIST | |
| Tboil | 597.69 | K | Relay (1.0) Calculated Property |
| Tc | 779.25 | K | Relay (1.0) Calculated Property |
| Tfus | 243.40 | 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 | [448.11; 1037.32] | 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 | 1.96620e+01 | |||
| Coefficient B | 1.82016e+00 | |||
| Coefficient C | -9.62000e-04 | |||
| Coefficient D | 1.59500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 448.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 550.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 642.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 724.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 796.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 860.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 915.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 963.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1003.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1037.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018747; 0.0000617] | Pa×s | [379.74; 670.81] |
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 | -1.41456e+01 | |||
| Coefficient B | 2.98714e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 379.74 | |||
| Temperature range, max. | 670.81 | |||
| η | 0.0018747 | Pa×s | 379.74 | Calculated Property |
| η | 0.0010111 | Pa×s | 412.08 | Calculated Property |
| η | 0.0005966 | Pa×s | 444.42 | Calculated Property |
| η | 0.0003782 | Pa×s | 476.76 | Calculated Property |
| η | 0.0002540 | Pa×s | 509.11 | Calculated Property |
| η | 0.0001789 | Pa×s | 541.45 | Calculated Property |
| η | 0.0001311 | Pa×s | 573.79 | Calculated Property |
| η | 0.0000993 | Pa×s | 606.13 | Calculated Property |
| η | 0.0000774 | Pa×s | 638.47 | Calculated Property |
| η | 0.0000617 | Pa×s | 670.81 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dec-2-yl cis-hex-2-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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