- InChI
- InChI=1S/C7H12Br2O2/c1-5(2)4-11-7(10)6(9)3-8/h5-6H,3-4H2,1-2H3
- InChI Key
- JJBDIAKOTAVKQO-UHFFFAOYSA-N
- Formula
- C7H12Br2O2
- SMILES
- CC(C)COC(=O)C(Br)CBr
- Molecular Weight1
- 287.98
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6034 | Relay (1.0) Calculated Property | |
| ΔfG° | -202.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -498.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.344 | Crippen Calculated Property | |
| McVol | 151.930 | ml/mol | McGowan Calculated Property |
| Pc | 3501.28 | kPa | Joback Calculated Property |
| Inp | 1288.00 | NIST | |
| Tboil | 501.28 | K | Relay (1.0) Calculated Property |
| Tc | 696.17 | K | Relay (1.0) Calculated Property |
| Tfus | 315.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.526 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [312.74; 368.94] | J/mol×K | [567.29; 782.01] | 
|
| Cp,gas | 312.74 | J/mol×K | 567.29 | Joback Calculated Property |
| Cp,gas | 323.57 | J/mol×K | 603.08 | Joback Calculated Property |
| Cp,gas | 333.79 | J/mol×K | 638.86 | Joback Calculated Property |
| Cp,gas | 343.42 | J/mol×K | 674.65 | Joback Calculated Property |
| Cp,gas | 352.47 | J/mol×K | 710.44 | Joback Calculated Property |
| Cp,gas | 360.97 | J/mol×K | 746.23 | Joback Calculated Property |
| Cp,gas | 368.94 | J/mol×K | 782.01 | Joback Calculated Property |
| η | [0.0002442; 0.0029934] | Pa×s | [330.41; 567.29] |
|
| η | 0.0029934 | Pa×s | 330.41 | Joback Calculated Property |
| η | 0.0015774 | Pa×s | 369.89 | Joback Calculated Property |
| η | 0.0009406 | Pa×s | 409.37 | Joback Calculated Property |
| η | 0.0006143 | Pa×s | 448.85 | Joback Calculated Property |
| η | 0.0004298 | Pa×s | 488.33 | Joback Calculated Property |
| η | 0.0003172 | Pa×s | 527.81 | Joback Calculated Property |
| η | 0.0002442 | Pa×s | 567.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyl 2,3-dibromopropanoate.
Sources
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