- InChI
- InChI=1S/C5H8BrClO2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3
- InChI Key
- QHNYTHIGYIAQCD-UHFFFAOYSA-N
- Formula
- C5H8BrClO2
- SMILES
- CCOC(=O)C(Cl)CBr
- Molecular Weight1
- 215.47
- 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° | -242.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.31 | kJ/mol | Joback Calculated Property |
| log10WS | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.552 | Crippen Calculated Property | |
| McVol | 118.490 | ml/mol | McGowan Calculated Property |
| Pc | 3848.31 | kPa | Joback Calculated Property |
| Tboil | 493.24 | K | Joback Calculated Property |
| Tc | 700.45 | K | Joback Calculated Property |
| Tfus | 292.99 | K | Joback Calculated Property |
| Vc | 0.445 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.20; 262.31] | J/mol×K | [493.24; 700.45] | 
|
| Cp,gas | 218.20 | J/mol×K | 493.24 | Joback Calculated Property |
| Cp,gas | 226.55 | J/mol×K | 527.77 | Joback Calculated Property |
| Cp,gas | 234.49 | J/mol×K | 562.31 | Joback Calculated Property |
| Cp,gas | 242.03 | J/mol×K | 596.84 | Joback Calculated Property |
| Cp,gas | 249.18 | J/mol×K | 631.38 | Joback Calculated Property |
| Cp,gas | 255.93 | J/mol×K | 665.91 | Joback Calculated Property |
| Cp,gas | 262.31 | J/mol×K | 700.45 | Joback Calculated Property |
| η | [0.0003304; 0.0032213] | Pa×s | [292.99; 493.24] |
|
| η | 0.0032213 | Pa×s | 292.99 | Joback Calculated Property |
| η | 0.0018152 | Pa×s | 326.37 | Joback Calculated Property |
| η | 0.0011377 | Pa×s | 359.74 | Joback Calculated Property |
| η | 0.0007719 | Pa×s | 393.12 | Joback Calculated Property |
| η | 0.0005566 | Pa×s | 426.49 | Joback Calculated Property |
| η | 0.0004208 | Pa×s | 459.87 | Joback Calculated Property |
| η | 0.0003304 | Pa×s | 493.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-bromo-2-chloro, ethyl ester.
Sources
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