- InChI
- InChI=1S/C6H12O/c1-6(2,3)5-4-7-5/h5H,4H2,1-3H3
- InChI Key
- HEAYDCIZOFDHRM-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- CC(C)(C)C1CO1
- Molecular Weight1
- 100.16
- CAS
- 2245-30-9
- Other Names
-
- Oxirane, (1,1-dimethylethyl)-
- tert-Butylethylene oxide
- tert-Butyloxirane
- Butane, 1,2-epoxy-3,3-dimethyl-
- 2-tert-Butyloxirane
- 3,3-Dimethylbutene oxide
- Oxirane, 2-(1,1-dimethylethyl)-
- 1,1-Dimethylethyl-oxirane
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -22.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -235.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.08 | kJ/mol | Joback Calculated Property |
| IE | 10.04 ± 0.05 | eV | NIST |
| log10WS | -1.19 | Crippen Calculated Property | |
| logPoct/wat | 1.431 | Crippen Calculated Property | |
| McVol | 90.410 | ml/mol | McGowan Calculated Property |
| Pc | 3655.35 | kPa | Joback Calculated Property |
| Inp | [705.00; 705.00] |
|
|
| Inp | 705.00 | NIST | |
| Inp | 705.00 | NIST | |
| Tboil | [374.47; 380.15] | K |
|
| Tboil | 374.47 ± 0.50 | K | NIST |
| Tboil | 380.15 ± 2.00 | K | NIST |
| Tboil | 379.15 ± 3.00 | K | NIST |
| Tc | 560.00 | K | Joback Calculated Property |
| Tfus | 204.31 | K | Joback Calculated Property |
| Vc | 0.339 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [170.48; 240.32] | J/mol×K | [367.14; 560.00] |
|
| Cp,gas | 170.48 | J/mol×K | 367.14 | Joback Calculated Property |
| Cp,gas | 184.11 | J/mol×K | 399.28 | Joback Calculated Property |
| Cp,gas | 196.89 | J/mol×K | 431.43 | Joback Calculated Property |
| Cp,gas | 208.85 | J/mol×K | 463.57 | Joback Calculated Property |
| Cp,gas | 220.05 | J/mol×K | 495.72 | Joback Calculated Property |
| Cp,gas | 230.52 | J/mol×K | 527.86 | Joback Calculated Property |
| Cp,gas | 240.32 | J/mol×K | 560.00 | Joback Calculated Property |
| η | [0.0004561; 0.0027460] | Pa×s | [204.31; 367.14] |
|
| η | 0.0027460 | Pa×s | 204.31 | Joback Calculated Property |
| η | 0.0017084 | Pa×s | 231.45 | Joback Calculated Property |
| η | 0.0011742 | Pa×s | 258.59 | Joback Calculated Property |
| η | 0.0008666 | Pa×s | 285.73 | Joback Calculated Property |
| η | 0.0006742 | Pa×s | 312.86 | Joback Calculated Property |
| η | 0.0005460 | Pa×s | 340.00 | Joback Calculated Property |
| η | 0.0004561 | Pa×s | 367.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3-Dimethyl-1,2-epoxybutane.
Sources
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