- InChI
- InChI=1S/C7H14O/c1-3-4-7(2)5-8-6-7/h3-6H2,1-2H3
- InChI Key
- VMDLIHFPTHBGRM-UHFFFAOYSA-N
- Formula
- C7H14O
- SMILES
- CCCC1(C)COC1
- Molecular Weight1
- 114.19
- 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° | -34.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.62 | kJ/mol | Joback Calculated Property |
| log10WS | -1.49 | Crippen Calculated Property | |
| logPoct/wat | 1.823 | Crippen Calculated Property | |
| McVol | 104.500 | ml/mol | McGowan Calculated Property |
| Pc | 3464.28 | kPa | Joback Calculated Property |
| Inp | [868.00; 868.00] |
|
|
| Inp | 868.00 | NIST | |
| Inp | 868.00 | NIST | |
| Tboil | 397.76 | K | Joback Calculated Property |
| Tc | 593.23 | K | Joback Calculated Property |
| Tfus | 233.54 | K | Joback Calculated Property |
| Vc | 0.396 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.71; 281.07] | J/mol×K | [397.76; 593.23] |
|
| Cp,gas | 206.71 | J/mol×K | 397.76 | Joback Calculated Property |
| Cp,gas | 221.43 | J/mol×K | 430.34 | Joback Calculated Property |
| Cp,gas | 235.09 | J/mol×K | 462.92 | Joback Calculated Property |
| Cp,gas | 247.80 | J/mol×K | 495.49 | Joback Calculated Property |
| Cp,gas | 259.64 | J/mol×K | 528.07 | Joback Calculated Property |
| Cp,gas | 270.70 | J/mol×K | 560.65 | Joback Calculated Property |
| Cp,gas | 281.07 | J/mol×K | 593.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxetane, 3-methyl-3-propyl.
Sources
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