- InChI
- InChI=1S/C6H9BrO2/c7-3-1-5-2-4-9-6(5)8/h5H,1-4H2
- InChI Key
- IGLXGNWTGHUHHI-UHFFFAOYSA-N
- Formula
- C6H9BrO2
- SMILES
- O=C1OCCC1CCBr
- Molecular Weight1
- 193.04
- CAS
- 81478-17-3
- 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).
- 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° | -158.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.40 | kJ/mol | Joback Calculated Property |
| log10WS | -1.28 | Crippen Calculated Property | |
| logPoct/wat | 1.334 | Crippen Calculated Property | |
| McVol | 109.480 | ml/mol | McGowan Calculated Property |
| Pc | 4333.96 | kPa | Joback Calculated Property |
| Tboil | 512.89 | K | Joback Calculated Property |
| Tc | 747.12 | K | Joback Calculated Property |
| Tfus | 322.87 | K | Joback Calculated Property |
| Vc | 0.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.05; 295.67] | J/mol×K | [512.89; 747.12] | 
|
| Cp,gas | 230.05 | J/mol×K | 512.89 | Joback Calculated Property |
| Cp,gas | 242.67 | J/mol×K | 551.93 | Joback Calculated Property |
| Cp,gas | 254.62 | J/mol×K | 590.97 | Joback Calculated Property |
| Cp,gas | 265.89 | J/mol×K | 630.01 | Joback Calculated Property |
| Cp,gas | 276.48 | J/mol×K | 669.05 | Joback Calculated Property |
| Cp,gas | 286.41 | J/mol×K | 708.09 | Joback Calculated Property |
| Cp,gas | 295.67 | J/mol×K | 747.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Alpha-(2-bromoethyl)-gamma-hydroxy butyric acid lactone.
Sources
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