- InChI
- InChI=1S/C12H24O3/c1-10(9-12(2,3)4)8-11(13)15-7-6-14-5/h10H,6-9H2,1-5H3
- InChI Key
- XXBNJKDXVHKMTA-UHFFFAOYSA-N
- Formula
- C12H24O3
- SMILES
- COCCOC(=O)CC(C)CC(C)(C)C
- Molecular Weight1
- 216.32
- 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).
- Tc : Critical 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 | -748.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.17 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.638 | Crippen Calculated Property | |
| McVol | 193.250 | ml/mol | McGowan Calculated Property |
| Inp | [1359.00; 1359.00] |
|
|
| Inp | 1359.00 | NIST | |
| Inp | 1359.00 | NIST | |
| Tboil | 495.19 | K | Relay (1.0) Calculated Property |
| Tc | 680.69 | K | Relay (1.0) Calculated Property |
| Tfus | 235.96 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [488.21; 578.28] | J/mol×K | [551.13; 729.87] |
|
| Cp,gas | 488.21 | J/mol×K | 551.13 | Joback Calculated Property |
| Cp,gas | 505.13 | J/mol×K | 580.92 | Joback Calculated Property |
| Cp,gas | 521.26 | J/mol×K | 610.71 | Joback Calculated Property |
| Cp,gas | 536.63 | J/mol×K | 640.50 | Joback Calculated Property |
| Cp,gas | 551.24 | J/mol×K | 670.29 | Joback Calculated Property |
| Cp,gas | 565.12 | J/mol×K | 700.08 | Joback Calculated Property |
| Cp,gas | 578.28 | J/mol×K | 729.87 | Joback Calculated Property |
| η | [0.0001201; 0.0065966] | Pa×s | [276.98; 551.13] |
|
| η | 0.0065966 | Pa×s | 276.98 | Joback Calculated Property |
| η | 0.0021090 | Pa×s | 322.67 | Joback Calculated Property |
| η | 0.0008947 | Pa×s | 368.36 | Joback Calculated Property |
| η | 0.0004587 | Pa×s | 414.05 | Joback Calculated Property |
| η | 0.0002685 | Pa×s | 459.75 | Joback Calculated Property |
| η | 0.0001732 | Pa×s | 505.44 | Joback Calculated Property |
| η | 0.0001201 | Pa×s | 551.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methoxyethyl 3,5,5-trimethylhexanoate.
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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