- InChI
- InChI=1S/C5H8BrClO/c6-1-5(2-7)3-8-4-5/h1-4H2
- InChI Key
- WHFZYXGDOQLICS-UHFFFAOYSA-N
- Formula
- C5H8BrClO
- SMILES
- ClCC1(CBr)COC1
- Molecular Weight1
- 199.47
- 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° | -49.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -186.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.99 | kJ/mol | Joback Calculated Property |
| log10WS | -1.24 | Crippen Calculated Property | |
| logPoct/wat | 1.637 | Crippen Calculated Property | |
| McVol | 106.060 | ml/mol | McGowan Calculated Property |
| Pc | 4596.38 | kPa | Joback Calculated Property |
| Inp | 1155.00 | NIST | |
| Tboil | 455.59 | K | Joback Calculated Property |
| Tc | 682.93 | K | Joback Calculated Property |
| Tfus | 300.72 | K | Joback Calculated Property |
| Vc | 0.395 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.28; 244.72] | J/mol×K | [455.59; 682.93] | 
|
| Cp,gas | 194.28 | J/mol×K | 455.59 | Joback Calculated Property |
| Cp,gas | 204.82 | J/mol×K | 493.48 | Joback Calculated Property |
| Cp,gas | 214.32 | J/mol×K | 531.37 | Joback Calculated Property |
| Cp,gas | 222.91 | J/mol×K | 569.26 | Joback Calculated Property |
| Cp,gas | 230.74 | J/mol×K | 607.15 | Joback Calculated Property |
| Cp,gas | 237.96 | J/mol×K | 645.04 | Joback Calculated Property |
| Cp,gas | 244.72 | J/mol×K | 682.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxetane, 3-bromomethyl-3-chloromethyl.
Sources
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