- InChI
- InChI=1S/C6H8Br2O2/c1-2-3-4-10-6(9)5(7)8/h2,5H,1,3-4H2
- InChI Key
- ZJXLTTXALJPISM-UHFFFAOYSA-N
- Formula
- C6H8Br2O2
- SMILES
- C=CCCOC(=O)C(Br)Br
- Molecular Weight1
- 271.94
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- I : 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° | -120.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.92 | kJ/mol | Joback Calculated Property |
| log10WS | -2.52 | Crippen Calculated Property | |
| logPoct/wat | 2.222 | Crippen Calculated Property | |
| McVol | 133.540 | ml/mol | McGowan Calculated Property |
| Pc | 4109.14 | kPa | Joback Calculated Property |
| Inp | [1210.00; 1210.00] |
|
|
| Inp | 1210.00 | NIST | |
| Inp | 1210.00 | NIST | |
| I | 1818.00 | NIST | |
| Tboil | 541.53 | K | Joback Calculated Property |
| Tc | 759.86 | K | Joback Calculated Property |
| Tfus | 332.38 | K | Joback Calculated Property |
| Vc | 0.494 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.78; 294.44] | J/mol×K | [541.53; 759.86] |
|
| Cp,gas | 249.78 | J/mol×K | 541.53 | Joback Calculated Property |
| Cp,gas | 258.48 | J/mol×K | 577.92 | Joback Calculated Property |
| Cp,gas | 266.64 | J/mol×K | 614.31 | Joback Calculated Property |
| Cp,gas | 274.29 | J/mol×K | 650.69 | Joback Calculated Property |
| Cp,gas | 281.46 | J/mol×K | 687.08 | Joback Calculated Property |
| Cp,gas | 288.17 | J/mol×K | 723.47 | Joback Calculated Property |
| Cp,gas | 294.44 | J/mol×K | 759.86 | Joback Calculated Property |
| η | [0.0003028; 0.0024118] | Pa×s | [332.38; 541.53] |
|
| η | 0.0024118 | Pa×s | 332.38 | Joback Calculated Property |
| η | 0.0014483 | Pa×s | 367.24 | Joback Calculated Property |
| η | 0.0009501 | Pa×s | 402.10 | Joback Calculated Property |
| η | 0.0006666 | Pa×s | 436.95 | Joback Calculated Property |
| η | 0.0004929 | Pa×s | 471.81 | Joback Calculated Property |
| η | 0.0003799 | Pa×s | 506.67 | Joback Calculated Property |
| η | 0.0003028 | Pa×s | 541.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-1-ol, dibromoacetate.
Sources
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