- InChI
- InChI=1S/C16H30O5/c1-7-12(2)20-14(17)9-8-10-15(18)21-13(3)11-19-16(4,5)6/h12-13H,7-11H2,1-6H3
- InChI Key
- BWYZHBBQJLRAHG-UHFFFAOYSA-N
- Formula
- C16H30O5
- SMILES
-
CCC(C)OC(=O)CCCC(=O)OC(C)COC(C
)(C)C - Molecular Weight1
- 302.41
- 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).
- IE : Ionization energy (eV).
- 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 | -1182.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.245 | Crippen Calculated Property | |
| McVol | 257.050 | ml/mol | McGowan Calculated Property |
| Inp | [2023.00; 2023.00] |
|
|
| Inp | 2023.00 | NIST | |
| Inp | 2023.00 | NIST | |
| Tboil | 559.73 | 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, 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 | [751.95; 841.88] | J/mol×K | [700.43; 882.11] |
|
| Cp,gas | 751.95 | J/mol×K | 700.43 | Joback Calculated Property |
| Cp,gas | 769.40 | J/mol×K | 730.71 | Joback Calculated Property |
| Cp,gas | 785.85 | J/mol×K | 760.99 | Joback Calculated Property |
| Cp,gas | 801.31 | J/mol×K | 791.27 | Joback Calculated Property |
| Cp,gas | 815.79 | J/mol×K | 821.55 | Joback Calculated Property |
| Cp,gas | 829.31 | J/mol×K | 851.83 | Joback Calculated Property |
| Cp,gas | 841.88 | J/mol×K | 882.11 | Joback Calculated Property |
| η | [0.0000409; 0.0031813] | Pa×s | [349.39; 700.43] |
|
| η | 0.0031813 | Pa×s | 349.39 | Joback Calculated Property |
| η | 0.0009152 | Pa×s | 407.90 | Joback Calculated Property |
| η | 0.0003599 | Pa×s | 466.40 | Joback Calculated Property |
| η | 0.0001743 | Pa×s | 524.91 | Joback Calculated Property |
| η | 0.0000976 | Pa×s | 583.42 | Joback Calculated Property |
| η | 0.0000608 | Pa×s | 641.92 | Joback Calculated Property |
| η | 0.0000409 | Pa×s | 700.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 1-(tert-butoxy)prop-2-yl isobutyl 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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