- InChI
- InChI=1S/C5H8BrIO/c6-1-5(2-7)3-8-4-5/h1-4H2
- InChI Key
- FNEOLQRYEPFPEV-UHFFFAOYSA-N
- Formula
- C5H8BrIO
- SMILES
- BrCC1(CI)COC1
- Molecular Weight1
- 290.93
- 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° | 20.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -93.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.98 | kJ/mol | Joback Calculated Property |
| log10WS | -2.04 | Crippen Calculated Property | |
| logPoct/wat | 1.833 | Crippen Calculated Property | |
| McVol | 119.640 | ml/mol | McGowan Calculated Property |
| Pc | 4691.31 | kPa | Joback Calculated Property |
| Inp | [1322.00; 1322.00] |
|
|
| Inp | 1322.00 | NIST | |
| Inp | 1322.00 | NIST | |
| Tboil | 511.30 | K | Joback Calculated Property |
| Tc | 769.75 | K | Joback Calculated Property |
| Tfus | 328.86 | K | Joback Calculated Property |
| Vc | 0.433 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.86; 260.78] | J/mol×K | [511.30; 769.75] |
|
| Cp,gas | 212.86 | J/mol×K | 511.30 | Joback Calculated Property |
| Cp,gas | 222.80 | J/mol×K | 554.38 | Joback Calculated Property |
| Cp,gas | 231.65 | J/mol×K | 597.45 | Joback Calculated Property |
| Cp,gas | 239.65 | J/mol×K | 640.53 | Joback Calculated Property |
| Cp,gas | 247.01 | J/mol×K | 683.60 | Joback Calculated Property |
| Cp,gas | 253.98 | J/mol×K | 726.68 | Joback Calculated Property |
| Cp,gas | 260.78 | J/mol×K | 769.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxetane, 3-bromomethyl-3-iodomethyl.
Sources
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