- InChI
- InChI=1S/C25H46O4/c1-6-7-8-9-10-11-12-13-14-15-19-28-23(26)17-16-18-24(27)29-21-22(2)20-25(3,4)5/h14-15,22H,6-13,16-21H2,1-5H3/b15-14+
- InChI Key
- QTVGSZSMUOEABJ-CCEZHUSRSA-N
- Formula
- C25H46O4
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCCC(=O)OCC
(C)CC(C)(C)C - Molecular Weight1
- 410.63
- 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 | -1133.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.37 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.012 | Crippen Calculated Property | |
| McVol | 373.690 | ml/mol | McGowan Calculated Property |
| Inp | [2706.00; 2706.00] |
|
|
| Inp | 2706.00 | NIST | |
| Inp | 2706.00 | NIST | |
| Tboil | 649.79 | K | Relay (1.0) Calculated Property |
| Tc | 819.68 | K | Relay (1.0) Calculated Property |
| Tfus | 263.25 | 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 | [1235.98; 1335.17] | J/mol×K | [888.53; 1087.82] |
|
| Cp,gas | 1235.98 | J/mol×K | 888.53 | Joback Calculated Property |
| Cp,gas | 1255.61 | J/mol×K | 921.74 | Joback Calculated Property |
| Cp,gas | 1273.92 | J/mol×K | 954.96 | Joback Calculated Property |
| Cp,gas | 1290.97 | J/mol×K | 988.17 | Joback Calculated Property |
| Cp,gas | 1306.81 | J/mol×K | 1021.39 | Joback Calculated Property |
| Cp,gas | 1321.53 | J/mol×K | 1054.60 | Joback Calculated Property |
| Cp,gas | 1335.17 | J/mol×K | 1087.82 | Joback Calculated Property |
| η | [0.0000121; 0.0008647] | Pa×s | [438.51; 888.53] |
|
| η | 0.0008647 | Pa×s | 438.51 | Joback Calculated Property |
| η | 0.0002523 | Pa×s | 513.51 | Joback Calculated Property |
| η | 0.0001007 | Pa×s | 588.52 | Joback Calculated Property |
| η | 0.0000495 | Pa×s | 663.52 | Joback Calculated Property |
| η | 0.0000281 | Pa×s | 738.52 | Joback Calculated Property |
| η | 0.0000177 | Pa×s | 813.53 | Joback Calculated Property |
| η | 0.0000121 | Pa×s | 888.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodec-2-en-1-yl 2,4,4-trimethylpentyl 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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