- InChI
- InChI=1S/C16H30O4/c1-11(2)10-13(5)19-15(17)8-7-9-16(18)20-14(6)12(3)4/h11-14H,7-10H2,1-6H3
- InChI Key
- RWHVPRJEOBIWCR-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
-
CC(C)CC(C)OC(=O)CCCC(=O)OC(C)C
(C)C - Molecular Weight1
- 286.41
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1052.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.37 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.722 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Inp | [1697.00; 1697.00] |
|
|
| Inp | 1697.00 | NIST | |
| Inp | 1697.00 | NIST | |
| Tboil | 550.35 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [376.32; 863.15] | 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 | 3.24340e+01 | |||
| Coefficient B | 1.43792e+00 | |||
| Coefficient C | -6.70200e-04 | |||
| Coefficient D | 6.30000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 376.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 460.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 535.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 604.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 664.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 718.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 764.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 804.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 836.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 863.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0109322; 0.0000938] | Pa×s | [294.74; 602.05] |
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 | -1.38386e+01 | |||
| Coefficient B | 2.74772e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 294.74 | |||
| Temperature range, max. | 602.05 | |||
| η | 0.0109322 | Pa×s | 294.74 | Calculated Property |
| η | 0.0041529 | Pa×s | 328.89 | Calculated Property |
| η | 0.0018927 | Pa×s | 363.03 | Calculated Property |
| η | 0.0009874 | Pa×s | 397.18 | Calculated Property |
| η | 0.0005710 | Pa×s | 431.32 | Calculated Property |
| η | 0.0003578 | Pa×s | 465.47 | Calculated Property |
| η | 0.0002390 | Pa×s | 499.62 | Calculated Property |
| η | 0.0001681 | Pa×s | 533.76 | Calculated Property |
| η | 0.0001234 | Pa×s | 567.91 | Calculated Property |
| η | 0.0000938 | Pa×s | 602.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 4-methylpent-2-yl 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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