- InChI
- InChI=1S/C8H16O3/c1-7(2,9)8(3)10-5-4-6-11-8/h9H,4-6H2,1-3H3
- InChI Key
- JTBUTVUSECYYFH-UHFFFAOYSA-N
- Formula
- C8H16O3
- SMILES
- CC(C)(O)C1(C)OCCCO1
- Molecular Weight1
- 160.21
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -4726.10 ± 6.20 | kJ/mol | NIST |
| ΔfH°gas | -642.00 ± 14.00 | kJ/mol | NIST |
| ΔfH°liquid | -709.00 ± 12.00 | kJ/mol | NIST |
| ΔfusH° | 14.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [67.00; 67.40] | kJ/mol |
|
| ΔvapH° | 67.40 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 67.00 | kJ/mol | NIST |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.910 | Crippen Calculated Property | |
| McVol | 130.330 | ml/mol | McGowan Calculated Property |
| Tboil | 482.83 | 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 | [338.82; 412.94] | J/mol×K | [545.08; 753.48] |
|
| Cp,gas | 338.82 | J/mol×K | 545.08 | Joback Calculated Property |
| Cp,gas | 353.24 | J/mol×K | 579.81 | Joback Calculated Property |
| Cp,gas | 366.68 | J/mol×K | 614.55 | Joback Calculated Property |
| Cp,gas | 379.26 | J/mol×K | 649.28 | Joback Calculated Property |
| Cp,gas | 391.09 | J/mol×K | 684.01 | Joback Calculated Property |
| Cp,gas | 402.28 | J/mol×K | 718.75 | Joback Calculated Property |
| Cp,gas | 412.94 | J/mol×K | 753.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(1-Hydroxy-1-methylethyl-2-methyl-1,3-dioxane.
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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