- InChI
- InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-16-25-20(22)14-15-21(23)26-18-19-13-12-17-24-19/h10-11,19H,2-9,12-18H2,1H3/b11-10+
- InChI Key
- BHQWTIIUUZDVEM-ZHACJKMWSA-N
- Formula
- C21H36O5
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCC(=O)OCC1
CCCO1 - Molecular Weight1
- 368.51
- 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 | -1082.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.69 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.729 | Crippen Calculated Property | |
| McVol | 312.340 | ml/mol | McGowan Calculated Property |
| Inp | [2850.00; 2850.00] |
|
|
| Inp | 2850.00 | NIST | |
| Inp | 2850.00 | NIST | |
| Tboil | 651.07 | K | Relay (1.0) Calculated Property |
| Tc | 833.84 | K | Relay (1.0) Calculated Property |
| Tfus | 265.38 | 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 | [1031.64; 1120.51] | J/mol×K | [878.85; 1079.84] |
|
| Cp,gas | 1031.64 | J/mol×K | 878.85 | Joback Calculated Property |
| Cp,gas | 1049.33 | J/mol×K | 912.35 | Joback Calculated Property |
| Cp,gas | 1065.82 | J/mol×K | 945.85 | Joback Calculated Property |
| Cp,gas | 1081.13 | J/mol×K | 979.35 | Joback Calculated Property |
| Cp,gas | 1095.32 | J/mol×K | 1012.85 | Joback Calculated Property |
| Cp,gas | 1108.44 | J/mol×K | 1046.34 | Joback Calculated Property |
| Cp,gas | 1120.51 | J/mol×K | 1079.84 | Joback Calculated Property |
| η | [0.0000512; 0.0007362] | Pa×s | [503.14; 878.85] |
|
| η | 0.0007362 | Pa×s | 503.14 | Joback Calculated Property |
| η | 0.0003691 | Pa×s | 565.76 | Joback Calculated Property |
| η | 0.0002124 | Pa×s | 628.38 | Joback Calculated Property |
| η | 0.0001351 | Pa×s | 691.00 | Joback Calculated Property |
| η | 0.0000926 | Pa×s | 753.61 | Joback Calculated Property |
| η | 0.0000673 | Pa×s | 816.23 | Joback Calculated Property |
| η | 0.0000512 | Pa×s | 878.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-2-en-1-yl tetrahydrofurfuryl 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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