- InChI
- InChI=1S/C26H46O4/c1-4-7-9-10-11-12-13-14-15-16-18-23-29-25(27)21-19-22-26(28)30-24(6-3)20-17-8-5-2/h24H,4-15,17,19-23H2,1-3H3
- InChI Key
- ZGRGYLSBHFIIFL-UHFFFAOYSA-N
- Formula
- C26H46O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC
(CC)CCCCC - Molecular Weight1
- 422.64
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -934.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.49 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.136 | Crippen Calculated Property | |
| McVol | 383.480 | ml/mol | McGowan Calculated Property |
| Inp | [2821.00; 2821.00] |
|
|
| Inp | 2821.00 | NIST | |
| Inp | 2821.00 | NIST | |
| Tboil | 648.32 | K | Relay (1.0) Calculated Property |
| Tc | 841.47 | K | Relay (1.0) Calculated Property |
| Tfus | 276.58 | 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 | [1291.21; 1385.70] | J/mol×K | [955.42; 1170.99] |
|
| Cp,gas | 1291.21 | J/mol×K | 955.42 | Joback Calculated Property |
| Cp,gas | 1310.69 | J/mol×K | 991.35 | Joback Calculated Property |
| Cp,gas | 1328.62 | J/mol×K | 1027.28 | Joback Calculated Property |
| Cp,gas | 1345.05 | J/mol×K | 1063.21 | Joback Calculated Property |
| Cp,gas | 1360.01 | J/mol×K | 1099.13 | Joback Calculated Property |
| Cp,gas | 1373.54 | J/mol×K | 1135.06 | Joback Calculated Property |
| Cp,gas | 1385.70 | J/mol×K | 1170.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 3-octyl 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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