- InChI
- InChI=1S/C4H6Br2O2/c5-1-3(2-6)4(7)8/h3H,1-2H2,(H,7,8)
- InChI Key
- QQZJWQCLWOQDQV-UHFFFAOYSA-N
- Formula
- C4H6Br2O2
- SMILES
- O=C(O)C(CBr)CBr
- Molecular Weight1
- 245.90
- CAS
- 41459-42-1
- Other Names
-
- «beta»,«beta»-Dibromoisobutyric acid
- Propionic acid, 3-bromo-2-(bromomethyl)-
- 3-BROMO-2-(BROMOMETHYL)PROPIONIC ACID
- 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).
- 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° | -256.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -343.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.41 | kJ/mol | Joback Calculated Property |
| log10WS | -1.22 | Crippen Calculated Property | |
| logPoct/wat | 1.477 | Crippen Calculated Property | |
| McVol | 109.660 | ml/mol | McGowan Calculated Property |
| Pc | 5908.07 | kPa | Joback Calculated Property |
| Tboil | 568.85 | K | Joback Calculated Property |
| Tc | 776.12 | K | Joback Calculated Property |
| Tfus | 350.19 | K | Joback Calculated Property |
| Vc | 0.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [200.72; 230.30] | J/mol×K | [568.85; 776.12] | 
|
| Cp,gas | 200.72 | J/mol×K | 568.85 | Joback Calculated Property |
| Cp,gas | 206.53 | J/mol×K | 603.40 | Joback Calculated Property |
| Cp,gas | 211.95 | J/mol×K | 637.94 | Joback Calculated Property |
| Cp,gas | 217.01 | J/mol×K | 672.49 | Joback Calculated Property |
| Cp,gas | 221.74 | J/mol×K | 707.03 | Joback Calculated Property |
| Cp,gas | 226.16 | J/mol×K | 741.58 | Joback Calculated Property |
| Cp,gas | 230.30 | J/mol×K | 776.12 | Joback Calculated Property |
| η | [0.0001734; 0.0062127] | Pa×s | [350.19; 568.85] |
|
| η | 0.0062127 | Pa×s | 350.19 | Joback Calculated Property |
| η | 0.0025833 | Pa×s | 386.63 | Joback Calculated Property |
| η | 0.0012494 | Pa×s | 423.08 | Joback Calculated Property |
| η | 0.0006781 | Pa×s | 459.52 | Joback Calculated Property |
| η | 0.0004026 | Pa×s | 495.96 | Joback Calculated Property |
| η | 0.0002567 | Pa×s | 532.41 | Joback Calculated Property |
| η | 0.0001734 | Pa×s | 568.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-bromo-2-(bromomethyl)-.
Sources
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