- InChI
- InChI=1S/C3H4BrClO/c4-2-1-3(5)6/h1-2H2
- InChI Key
- IHBVNSPHKMCPST-UHFFFAOYSA-N
- Formula
- C3H4BrClO
- SMILES
- O=C(Cl)CCBr
- Molecular Weight1
- 171.42
- CAS
- 15486-96-1
- Other Names
-
- «beta»-Bromopropionyl chloride
- Propanoyl chloride, 3-bromo-
- 3-Bromopropanoyl chloride
- 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).
- 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° | -152.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -207.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.84 | kJ/mol | Joback Calculated Property |
| log10WS | -1.44 | Crippen Calculated Property | |
| logPoct/wat | 1.537 | Crippen Calculated Property | |
| McVol | 84.440 | ml/mol | McGowan Calculated Property |
| Pc | 5022.80 | kPa | Joback Calculated Property |
| Inp | 913.00 | NIST | |
| Tboil | 425.50 | K | Joback Calculated Property |
| Tc | 634.89 | K | Joback Calculated Property |
| Tfus | 263.22 | K | Joback Calculated Property |
| Vc | 0.321 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [124.76; 152.08] | J/mol×K | [425.50; 634.89] | 
|
| Cp,gas | 124.76 | J/mol×K | 425.50 | Joback Calculated Property |
| Cp,gas | 130.06 | J/mol×K | 460.40 | Joback Calculated Property |
| Cp,gas | 135.05 | J/mol×K | 495.30 | Joback Calculated Property |
| Cp,gas | 139.73 | J/mol×K | 530.20 | Joback Calculated Property |
| Cp,gas | 144.12 | J/mol×K | 565.09 | Joback Calculated Property |
| Cp,gas | 148.23 | J/mol×K | 599.99 | Joback Calculated Property |
| Cp,gas | 152.08 | J/mol×K | 634.89 | Joback Calculated Property |
| η | [0.0004935; 0.0032237] | Pa×s | [263.22; 425.50] |
|
| η | 0.0032237 | Pa×s | 263.22 | Joback Calculated Property |
| η | 0.0020381 | Pa×s | 290.27 | Joback Calculated Property |
| η | 0.0013933 | Pa×s | 317.31 | Joback Calculated Property |
| η | 0.0010111 | Pa×s | 344.36 | Joback Calculated Property |
| η | 0.0007689 | Pa×s | 371.41 | Joback Calculated Property |
| η | 0.0006068 | Pa×s | 398.45 | Joback Calculated Property |
| η | 0.0004935 | Pa×s | 425.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Bromopropionyl chloride.
Sources
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