- InChI
- InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3
- InChI Key
- KUTQUJKLMUSJFL-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- CC1OCC1(C)C
- Molecular Weight1
- 100.16
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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° | -51.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.09 | kJ/mol | Joback Calculated Property |
| log10WS | -1.19 | Crippen Calculated Property | |
| logPoct/wat | 1.431 | Crippen Calculated Property | |
| McVol | 90.410 | ml/mol | McGowan Calculated Property |
| Pc | 3736.23 | kPa | Joback Calculated Property |
| Inp | 715.00 | NIST | |
| Tboil | 370.21 | K | Joback Calculated Property |
| Tc | 566.43 | K | Joback Calculated Property |
| Tfus | 218.03 | K | Joback Calculated Property |
| Vc | 0.339 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [168.28; 238.57] | J/mol×K | [370.21; 566.43] | 
|
| Cp,gas | 168.28 | J/mol×K | 370.21 | Joback Calculated Property |
| Cp,gas | 182.22 | J/mol×K | 402.91 | Joback Calculated Property |
| Cp,gas | 195.16 | J/mol×K | 435.62 | Joback Calculated Property |
| Cp,gas | 207.18 | J/mol×K | 468.32 | Joback Calculated Property |
| Cp,gas | 218.37 | J/mol×K | 501.02 | Joback Calculated Property |
| Cp,gas | 228.80 | J/mol×K | 533.72 | Joback Calculated Property |
| Cp,gas | 238.57 | J/mol×K | 566.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,3-Trimethyl-oxetane.
Sources
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