- InChI
- InChI=1S/C3H4BrClO/c1-2(4)3(5)6/h2H,1H3
- InChI Key
- OZGMODDEIHYPRY-UHFFFAOYSA-N
- Formula
- C3H4BrClO
- SMILES
- CC(Br)C(=O)Cl
- Molecular Weight1
- 171.42
- Other Names
-
- «alpha»-Bromopropionyl chloride
- Propanoyl chloride, 2-bromo-
- 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).
- 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 | 0.3602 | Relay (1.0) Calculated Property | |
| ΔfG° | -154.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -227.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.30 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.535 | Crippen Calculated Property | |
| McVol | 84.440 | ml/mol | McGowan Calculated Property |
| Pc | 5080.25 | kPa | Joback Calculated Property |
| Inp | [817.00; 817.00] |
|
|
| Inp | 817.00 | NIST | |
| Inp | 817.00 | NIST | |
| Tboil | 405.20 | K | NIST |
| Tc | 610.35 | K | Relay (1.0) Calculated Property |
| Tfus | 286.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.306 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [124.94; 153.28] | J/mol×K | [425.26; 639.92] |
|
| Cp,gas | 124.94 | J/mol×K | 425.26 | Joback Calculated Property |
| Cp,gas | 130.48 | J/mol×K | 461.04 | Joback Calculated Property |
| Cp,gas | 135.67 | J/mol×K | 496.81 | Joback Calculated Property |
| Cp,gas | 140.53 | J/mol×K | 532.59 | Joback Calculated Property |
| Cp,gas | 145.07 | J/mol×K | 568.37 | Joback Calculated Property |
| Cp,gas | 149.32 | J/mol×K | 604.14 | Joback Calculated Property |
| Cp,gas | 153.28 | J/mol×K | 639.92 | Joback Calculated Property |
| η | [0.0004726; 0.0044204] | Pa×s | [248.22; 425.26] |
|
| η | 0.0044204 | Pa×s | 248.22 | Joback Calculated Property |
| η | 0.0024984 | Pa×s | 277.73 | Joback Calculated Property |
| η | 0.0015757 | Pa×s | 307.23 | Joback Calculated Property |
| η | 0.0010774 | Pa×s | 336.74 | Joback Calculated Property |
| η | 0.0007832 | Pa×s | 366.25 | Joback Calculated Property |
| η | 0.0005970 | Pa×s | 395.75 | Joback Calculated Property |
| η | 0.0004726 | Pa×s | 425.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromopropionyl chloride.
Sources
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