- InChI
- InChI=1S/C18H34O5/c1-8-15(13(2)3)23-17(20)11-9-10-16(19)22-14(4)12-21-18(5,6)7/h13-15H,8-12H2,1-7H3
- InChI Key
- UKMCUZARQKHXPY-UHFFFAOYSA-N
- Formula
- C18H34O5
- SMILES
-
CCC(OC(=O)CCCC(=O)OC(C)COC(C)(
C)C)C(C)C - Molecular Weight1
- 330.46
- 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 | -1223.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.47 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.881 | Crippen Calculated Property | |
| McVol | 285.230 | ml/mol | McGowan Calculated Property |
| Inp | [2239.00; 2239.00] |
|
|
| Inp | 2239.00 | NIST | |
| Inp | 2239.00 | NIST | |
| Tboil | 583.27 | 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 | [433.00; 985.76] | 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 | 3.33250e+01 | |||
| Coefficient B | 1.68464e+00 | |||
| Coefficient C | -8.36600e-04 | |||
| Coefficient D | 1.04400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 433.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 529.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 615.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 693.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 762.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 822.71 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 874.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 919.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 956.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 985.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032030; 0.0000518] | Pa×s | [356.93; 650.65] |
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 | -1.48795e+01 | |||
| Coefficient B | 3.26085e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 356.93 | |||
| Temperature range, max. | 650.65 | |||
| η | 0.0032030 | Pa×s | 356.93 | Calculated Property |
| η | 0.0014899 | Pa×s | 389.57 | Calculated Property |
| η | 0.0007801 | Pa×s | 422.20 | Calculated Property |
| η | 0.0004482 | Pa×s | 454.84 | Calculated Property |
| η | 0.0002774 | Pa×s | 487.47 | Calculated Property |
| η | 0.0001823 | Pa×s | 520.11 | Calculated Property |
| η | 0.0001259 | Pa×s | 552.74 | Calculated Property |
| η | 0.0000906 | Pa×s | 585.38 | Calculated Property |
| η | 0.0000675 | Pa×s | 618.02 | Calculated Property |
| η | 0.0000518 | Pa×s | 650.65 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 1-(tert-butoxy)prop-2-yl 2-methylhex-3-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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