- InChI
- InChI=1S/C8H16O/c1-3-4-5-8(2)6-9-7-8/h3-7H2,1-2H3
- InChI Key
- MOSBYOJBWJVFNS-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- CCCCC1(C)COC1
- Molecular Weight1
- 128.21
- 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° | -26.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.85 | kJ/mol | Joback Calculated Property |
| log10WS | -1.91 | Crippen Calculated Property | |
| logPoct/wat | 2.213 | Crippen Calculated Property | |
| McVol | 118.590 | ml/mol | McGowan Calculated Property |
| Pc | 3103.64 | kPa | Joback Calculated Property |
| Inp | [976.00; 976.00] |
|
|
| Inp | 976.00 | NIST | |
| Inp | 976.00 | NIST | |
| Tboil | 420.64 | K | Joback Calculated Property |
| Tc | 614.43 | K | Joback Calculated Property |
| Tfus | 244.81 | K | Joback Calculated Property |
| Vc | 0.452 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.47; 327.18] | J/mol×K | [420.64; 614.43] |
|
| Cp,gas | 247.47 | J/mol×K | 420.64 | Joback Calculated Property |
| Cp,gas | 263.08 | J/mol×K | 452.94 | Joback Calculated Property |
| Cp,gas | 277.64 | J/mol×K | 485.24 | Joback Calculated Property |
| Cp,gas | 291.24 | J/mol×K | 517.54 | Joback Calculated Property |
| Cp,gas | 303.97 | J/mol×K | 549.83 | Joback Calculated Property |
| Cp,gas | 315.92 | J/mol×K | 582.13 | Joback Calculated Property |
| Cp,gas | 327.18 | J/mol×K | 614.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxetane, 3-butyl-3-methyl.
Sources
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