- InChI
- InChI=1S/C2H2Br2O/c3-1-2(4)5/h1H2
- InChI Key
- LSTRKXWIZZZYAS-UHFFFAOYSA-N
- Formula
- C2H2Br2O
- SMILES
- O=C(Br)CBr
- Molecular Weight1
- 201.84
- CAS
- 598-21-0
- Other Names
-
- Acetyl bromide, bromo-
- UN 2513
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4796 | Relay (1.0) Calculated Property | |
| ΔfG° | -134.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -166.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.303 | Crippen Calculated Property | |
| McVol | 75.610 | ml/mol | McGowan Calculated Property |
| Pc | 6841.44 | kPa | Joback Calculated Property |
| Tboil | 421.70 | K | NIST |
| Tc | 666.19 | K | Relay (1.0) Calculated Property |
| Tfus | 315.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.275 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [96.14; 113.97] | J/mol×K | [431.35; 655.94] | 
|
| Cp,gas | 96.14 | J/mol×K | 431.35 | Joback Calculated Property |
| Cp,gas | 99.79 | J/mol×K | 468.78 | Joback Calculated Property |
| Cp,gas | 103.14 | J/mol×K | 506.21 | Joback Calculated Property |
| Cp,gas | 106.21 | J/mol×K | 543.65 | Joback Calculated Property |
| Cp,gas | 109.02 | J/mol×K | 581.08 | Joback Calculated Property |
| Cp,gas | 111.60 | J/mol×K | 618.51 | Joback Calculated Property |
| Cp,gas | 113.97 | J/mol×K | 655.94 | Joback Calculated Property |
| η | [0.0005688; 0.0028647] | Pa×s | [281.83; 431.35] |
|
| η | 0.0028647 | Pa×s | 281.83 | Joback Calculated Property |
| η | 0.0019612 | Pa×s | 306.75 | Joback Calculated Property |
| η | 0.0014213 | Pa×s | 331.67 | Joback Calculated Property |
| η | 0.0010774 | Pa×s | 356.59 | Joback Calculated Property |
| η | 0.0008469 | Pa×s | 381.51 | Joback Calculated Property |
| η | 0.0006856 | Pa×s | 406.43 | Joback Calculated Property |
| η | 0.0005688 | Pa×s | 431.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bromoacetyl bromide.
Sources
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