- InChI
- InChI=1S/C24H42O4/c1-19(2)9-7-11-21(5)15-17-27-23(25)13-14-24(26)28-18-16-22(6)12-8-10-20(3)4/h9-10,21-22H,7-8,11-18H2,1-6H3
- InChI Key
- GMLQUIFZFBXXCI-UHFFFAOYSA-N
- Formula
- C24H42O4
- SMILES
-
CC(C)=CCCC(C)CCOC(=O)CCC(=O)OC
CC(C)CCC=C(C)C - Molecular Weight1
- 394.59
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1041.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.52 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.398 | Crippen Calculated Property | |
| McVol | 355.300 | ml/mol | McGowan Calculated Property |
| Inp | 2619.00 | NIST | |
| Tboil | 640.10 | K | Relay (1.0) Calculated Property |
| Tc | 807.58 | 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 | [518.96; 1213.10] | 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 | 7.80000e-01 | |||
| Coefficient B | 2.22592e+00 | |||
| Coefficient C | -1.27120e-03 | |||
| Coefficient D | 2.57600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 518.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 640.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 749.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 845.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 930.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1004.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1069.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1125.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1172.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1213.10 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(3,7-dimethyloct-6-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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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