- InChI
- InChI=1S/C5H9BrO2/c6-1-5(2-7)3-8-4-5/h7H,1-4H2
- InChI Key
- SESXZSLSTRITGO-UHFFFAOYSA-N
- Formula
- C5H9BrO2
- SMILES
- OCC1(CBr)COC1
- Molecular Weight1
- 181.03
- 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° | -174.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.28 | kJ/mol | Joback Calculated Property |
| log10WS | -0.35 | Crippen Calculated Property | |
| logPoct/wat | 0.390 | Crippen Calculated Property | |
| McVol | 99.690 | ml/mol | McGowan Calculated Property |
| Pc | 5519.63 | kPa | Joback Calculated Property |
| Inp | 1220.00 | NIST | |
| Tboil | 510.34 | K | Joback Calculated Property |
| Tc | 716.48 | K | Joback Calculated Property |
| Tfus | 331.62 | K | Joback Calculated Property |
| Vc | 0.364 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.95; 257.48] | J/mol×K | [510.34; 716.48] | 
|
| Cp,gas | 212.95 | J/mol×K | 510.34 | Joback Calculated Property |
| Cp,gas | 221.81 | J/mol×K | 544.70 | Joback Calculated Property |
| Cp,gas | 229.95 | J/mol×K | 579.05 | Joback Calculated Property |
| Cp,gas | 237.48 | J/mol×K | 613.41 | Joback Calculated Property |
| Cp,gas | 244.50 | J/mol×K | 647.77 | Joback Calculated Property |
| Cp,gas | 251.13 | J/mol×K | 682.13 | Joback Calculated Property |
| Cp,gas | 257.48 | J/mol×K | 716.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxetane, 3-bromomethyl-3-hydroxymethyl.
Sources
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