- InChI
- InChI=1S/C27H36O4/c1-18-12-9-14-20(26(3,4)5)24(18)30-22(28)16-11-17-23(29)31-25-19(2)13-10-15-21(25)27(6,7)8/h9-10,12-15H,11,16-17H2,1-8H3
- InChI Key
- YHRFTVXYANLGBC-UHFFFAOYSA-N
- Formula
- C27H36O4
- SMILES
-
Cc1cccc(C(C)(C)C)c1OC(=O)CCCC(
=O)Oc1c(C)cccc1C(C)(C)C - Molecular Weight1
- 424.57
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -770.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.88 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.580 | Crippen Calculated Property | |
| McVol | 358.650 | ml/mol | McGowan Calculated Property |
| Inp | [3069.00; 3069.00] |
|
|
| Inp | 3069.00 | NIST | |
| Inp | 3069.00 | NIST | |
| Tboil | 675.91 | K | Relay (1.0) Calculated Property |
| Tfus | 351.57 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [1182.47; 1250.95] | J/mol×K | [1000.62; 1232.10] |
|
| Cp,gas | 1182.47 | J/mol×K | 1000.62 | Joback Calculated Property |
| Cp,gas | 1197.17 | J/mol×K | 1039.20 | Joback Calculated Property |
| Cp,gas | 1210.42 | J/mol×K | 1077.78 | Joback Calculated Property |
| Cp,gas | 1222.32 | J/mol×K | 1116.36 | Joback Calculated Property |
| Cp,gas | 1232.97 | J/mol×K | 1154.94 | Joback Calculated Property |
| Cp,gas | 1242.48 | J/mol×K | 1193.52 | Joback Calculated Property |
| Cp,gas | 1250.95 | J/mol×K | 1232.10 | Joback Calculated Property |
| η | [0.0000093; 0.0001538] | Pa×s | [586.47; 1000.62] |
|
| η | 0.0001538 | Pa×s | 586.47 | Joback Calculated Property |
| η | 0.0000753 | Pa×s | 655.50 | Joback Calculated Property |
| η | 0.0000423 | Pa×s | 724.52 | Joback Calculated Property |
| η | 0.0000262 | Pa×s | 793.55 | Joback Calculated Property |
| η | 0.0000176 | Pa×s | 862.57 | Joback Calculated Property |
| η | 0.0000125 | Pa×s | 931.60 | Joback Calculated Property |
| η | 0.0000093 | Pa×s | 1000.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2-tert-butyl-6-methylphenyl) 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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