- InChI
- InChI=1S/C3H5BrO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
- InChI Key
- DHXNZYCXMFBMHE-UHFFFAOYSA-N
- Formula
- C3H5BrO2
- SMILES
- O=C(O)CCBr
- Molecular Weight1
- 152.97
- CAS
- 590-92-1
- Other Names
-
- Propionic acid, 3-bromo-
- «beta»-Bromopropionic acid
- 2-Carboxyethyl bromide
- 3-Bromopropanoic acid
- 3-Bromopropionic 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -277.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -343.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.13 | kJ/mol | Joback Calculated Property |
| log10WS | -0.61 | Crippen Calculated Property | |
| logPoct/wat | 0.856 | Crippen Calculated Property | |
| McVol | 78.070 | ml/mol | McGowan Calculated Property |
| Pc | 6084.49 | kPa | Joback Calculated Property |
| Inp | 1024.00 | NIST | |
| Tboil | 480.25 | K | Joback Calculated Property |
| Tc | 671.82 | K | Joback Calculated Property |
| Tfus | 294.12 | K | Joback Calculated Property |
| Vc | 0.290 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.18; 162.29] | J/mol×K | [480.25; 671.82] | 
|
| Cp,gas | 136.18 | J/mol×K | 480.25 | Joback Calculated Property |
| Cp,gas | 141.17 | J/mol×K | 512.18 | Joback Calculated Property |
| Cp,gas | 145.88 | J/mol×K | 544.11 | Joback Calculated Property |
| Cp,gas | 150.34 | J/mol×K | 576.03 | Joback Calculated Property |
| Cp,gas | 154.55 | J/mol×K | 607.96 | Joback Calculated Property |
| Cp,gas | 158.53 | J/mol×K | 639.89 | Joback Calculated Property |
| Cp,gas | 162.29 | J/mol×K | 671.82 | Joback Calculated Property |
| η | [0.0003054; 0.0129460] | Pa×s | [294.12; 480.25] |
|
| η | 0.0129460 | Pa×s | 294.12 | Joback Calculated Property |
| η | 0.0051469 | Pa×s | 325.14 | Joback Calculated Property |
| η | 0.0024029 | Pa×s | 356.16 | Joback Calculated Property |
| η | 0.0012675 | Pa×s | 387.19 | Joback Calculated Property |
| η | 0.0007351 | Pa×s | 418.21 | Joback Calculated Property |
| η | 0.0004597 | Pa×s | 449.23 | Joback Calculated Property |
| η | 0.0003054 | Pa×s | 480.25 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 414.20 | K | 6.00 | NIST |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-bromo-.
Sources
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