- InChI
- InChI=1S/C8H16O/c1-8(2,3)5-4-7-6-9-7/h7H,4-6H2,1-3H3
- InChI Key
- WAHCIOYRXXNHEZ-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- CC(C)(C)CCC1CO1
- Molecular Weight1
- 128.21
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -239.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.212 | Crippen Calculated Property | |
| McVol | 118.590 | ml/mol | McGowan Calculated Property |
| Tboil | 431.16 | 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 | [249.49; 331.02] | J/mol×K | [413.10; 603.48] | 
|
| Cp,gas | 249.49 | J/mol×K | 413.10 | Joback Calculated Property |
| Cp,gas | 265.24 | J/mol×K | 444.83 | Joback Calculated Property |
| Cp,gas | 280.06 | J/mol×K | 476.56 | Joback Calculated Property |
| Cp,gas | 294.00 | J/mol×K | 508.29 | Joback Calculated Property |
| Cp,gas | 307.11 | J/mol×K | 540.02 | Joback Calculated Property |
| Cp,gas | 319.43 | J/mol×K | 571.75 | Joback Calculated Property |
| Cp,gas | 331.02 | J/mol×K | 603.48 | Joback Calculated Property |
| η | [0.0004815; 0.0036221] | Pa×s | [226.85; 413.10] |
|
| η | 0.0036221 | Pa×s | 226.85 | Joback Calculated Property |
| η | 0.0021135 | Pa×s | 257.89 | Joback Calculated Property |
| η | 0.0013846 | Pa×s | 288.93 | Joback Calculated Property |
| η | 0.0009846 | Pa×s | 319.98 | Joback Calculated Property |
| η | 0.0007437 | Pa×s | 351.02 | Joback Calculated Property |
| η | 0.0005879 | Pa×s | 382.06 | Joback Calculated Property |
| η | 0.0004815 | Pa×s | 413.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxirane, (3,3-dimethylbutyl)-.
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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