- InChI
- InChI=1S/C21H38O4/c1-5-6-7-8-9-10-11-12-13-14-17-24-20(22)15-16-21(23)25-19(4)18(2)3/h13-14,18-19H,5-12,15-17H2,1-4H3/b14-13+
- InChI Key
- JCYLALUDERQPMU-BUHFOSPRSA-N
- Formula
- C21H38O4
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCC(=O)OC(C
)C(C)C - Molecular Weight1
- 354.52
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1031.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.85 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.594 | Crippen Calculated Property | |
| McVol | 317.330 | ml/mol | McGowan Calculated Property |
| Inp | [2384.00; 2384.00] |
|
|
| Inp | 2384.00 | NIST | |
| Inp | 2384.00 | NIST | |
| Tboil | 605.46 | K | Relay (1.0) Calculated Property |
| Tc | 787.43 | K | Relay (1.0) Calculated Property |
| Tfus | 257.08 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [988.77; 1083.02] | J/mol×K | [799.80; 984.02] |
|
| Cp,gas | 988.77 | J/mol×K | 799.80 | Joback Calculated Property |
| Cp,gas | 1007.18 | J/mol×K | 830.50 | Joback Calculated Property |
| Cp,gas | 1024.46 | J/mol×K | 861.21 | Joback Calculated Property |
| Cp,gas | 1040.66 | J/mol×K | 891.91 | Joback Calculated Property |
| Cp,gas | 1055.80 | J/mol×K | 922.61 | Joback Calculated Property |
| Cp,gas | 1069.91 | J/mol×K | 953.32 | Joback Calculated Property |
| Cp,gas | 1083.02 | J/mol×K | 984.02 | Joback Calculated Property |
| η | [0.0000265; 0.0021487] | Pa×s | [376.01; 799.80] |
|
| η | 0.0021487 | Pa×s | 376.01 | Joback Calculated Property |
| η | 0.0005787 | Pa×s | 446.64 | Joback Calculated Property |
| η | 0.0002230 | Pa×s | 517.27 | Joback Calculated Property |
| η | 0.0001081 | Pa×s | 587.90 | Joback Calculated Property |
| η | 0.0000612 | Pa×s | 658.54 | Joback Calculated Property |
| η | 0.0000387 | Pa×s | 729.17 | Joback Calculated Property |
| η | 0.0000265 | Pa×s | 799.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-2-en-1-yl 3-methylbut-2-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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