- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [503.70; 1182.22] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.03970e+01 | |||
| Coefficient B | 2.31516e+00 | |||
| Coefficient C | -1.39364e-03 | |||
| Coefficient D | 2.91100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 503.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 627.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 736.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 832.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 916.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 988.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1050.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1102.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1146.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1182.22 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0001538; 0.0000176] | Pa×s | [586.47; 862.47] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.55579e+01 | |||
| Coefficient B | 3.97508e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 586.47 | |||
| Temperature range, max. | 862.47 | |||
| η | 0.0001538 | Pa×s | 586.47 | Calculated Property |
| η | 0.0001098 | Pa×s | 617.14 | Calculated Property |
| η | 0.0000810 | Pa×s | 647.80 | Calculated Property |
| η | 0.0000613 | Pa×s | 678.47 | Calculated Property |
| η | 0.0000476 | Pa×s | 709.14 | Calculated Property |
| η | 0.0000377 | Pa×s | 739.80 | Calculated Property |
| η | 0.0000305 | Pa×s | 770.47 | Calculated Property |
| η | 0.0000250 | Pa×s | 801.13 | Calculated Property |
| η | 0.0000208 | Pa×s | 831.80 | Calculated Property |
| η | 0.0000176 | Pa×s | 862.47 | 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
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