- InChI
- InChI=1S/C7H14O2/c1-6(2)7-3-4-8-5-9-7/h6-7H,3-5H2,1-2H3
- InChI Key
- KEAZEIMZENXSOH-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- CC(C)C1CCOCO1
- Molecular Weight1
- 130.18
- 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.
- I : 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 | -387.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.405 | Crippen Calculated Property | |
| McVol | 110.370 | ml/mol | McGowan Calculated Property |
| Inp | [831.00; 840.00] |
|
|
| Inp | 831.00 | NIST | |
| Inp | 840.00 | NIST | |
| I | [1060.00; 1074.00] |
|
|
| I | 1060.00 | NIST | |
| I | 1074.00 | NIST | |
| I | 1060.00 | NIST | |
| Tboil | 429.58 | 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 | [233.78; 317.59] | J/mol×K | [432.57; 640.51] |
|
| Cp,gas | 233.78 | J/mol×K | 432.57 | Joback Calculated Property |
| Cp,gas | 249.64 | J/mol×K | 467.23 | Joback Calculated Property |
| Cp,gas | 264.72 | J/mol×K | 501.88 | Joback Calculated Property |
| Cp,gas | 279.04 | J/mol×K | 536.54 | Joback Calculated Property |
| Cp,gas | 292.62 | J/mol×K | 571.20 | Joback Calculated Property |
| Cp,gas | 305.46 | J/mol×K | 605.85 | Joback Calculated Property |
| Cp,gas | 317.59 | J/mol×K | 640.51 | Joback Calculated Property |
| η | [0.0003464; 0.0145445] | Pa×s | [214.17; 432.57] |
|
| η | 0.0145445 | Pa×s | 214.17 | Joback Calculated Property |
| η | 0.0049623 | Pa×s | 250.57 | Joback Calculated Property |
| η | 0.0022240 | Pa×s | 286.97 | Joback Calculated Property |
| η | 0.0011942 | Pa×s | 323.37 | Joback Calculated Property |
| η | 0.0007272 | Pa×s | 359.77 | Joback Calculated Property |
| η | 0.0004851 | Pa×s | 396.17 | Joback Calculated Property |
| η | 0.0003464 | Pa×s | 432.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxane, 4-(1-methylethyl).
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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