- InChI
- InChI=1S/C5H8Br2O/c6-1-5(2-7)3-8-4-5/h1-4H2
- InChI Key
- QOPMHMFIIMJWET-UHFFFAOYSA-N
- Formula
- C5H8Br2O
- SMILES
- BrCC1(CBr)COC1
- Molecular Weight1
- 243.92
- CAS
- 2402-83-7
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4392 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -137.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.793 | Crippen Calculated Property | |
| McVol | 111.320 | ml/mol | McGowan Calculated Property |
| Pc | 5335.72 | kPa | Joback Calculated Property |
| Tboil | 502.60 | K | Relay (1.0) Calculated Property |
| Tc | 698.58 | K | Relay (1.0) Calculated Property |
| Tfus | 325.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.370 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.77; 252.46] | J/mol×K | [484.32; 723.65] | 
|
| Cp,gas | 203.77 | J/mol×K | 484.32 | Joback Calculated Property |
| Cp,gas | 213.96 | J/mol×K | 524.21 | Joback Calculated Property |
| Cp,gas | 223.08 | J/mol×K | 564.10 | Joback Calculated Property |
| Cp,gas | 231.30 | J/mol×K | 603.99 | Joback Calculated Property |
| Cp,gas | 238.82 | J/mol×K | 643.87 | Joback Calculated Property |
| Cp,gas | 245.81 | J/mol×K | 683.76 | Joback Calculated Property |
| Cp,gas | 252.46 | J/mol×K | 723.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxetane, 3,3-bis-(bromomethyl).
Sources
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