- InChI
- InChI=1S/C2H3BrO/c1-2(3)4/h1H3
- InChI Key
- FXXACINHVKSMDR-UHFFFAOYSA-N
- Formula
- C2H3BrO
- SMILES
- CC(=O)Br
- Molecular Weight1
- 122.95
- CAS
- 506-96-7
- Other Names
-
- CH3COBr
- UN 1716
- 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- 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° | -148.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-196.00; -195.00] | kJ/mol |
|
| ΔfH°gas | -196.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°gas | -195.00 | kJ/mol | NIST |
| ΔfH°liquid | [-226.00; -223.30] | kJ/mol |
|
| ΔfH°liquid | -223.30 ± 0.63 | kJ/mol | NIST |
| ΔfH°liquid | -226.00 ± 0.54 | kJ/mol | NIST |
| ΔfusH° | 7.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [29.60; 31.00] | kJ/mol |
|
| ΔvapH° | 29.60 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 31.00 | kJ/mol | NIST |
| IE | [10.24; 10.68] | eV |
|
| IE | 10.24 | eV | NIST |
| IE | 10.55 ± 0.05 | eV | NIST |
| IE | 10.68 ± 0.05 | eV | NIST |
| log10WS | -0.87 | Crippen Calculated Property | |
| logPoct/wat | 0.928 | Crippen Calculated Property | |
| McVol | 58.110 | ml/mol | McGowan Calculated Property |
| Pc | 6122.63 | kPa | Joback Calculated Property |
| Tboil | [349.00; 353.65] | K |
|
| Tboil | 349.20 | K | NIST |
| Tboil | 349.00 ± 3.00 | K | NIST |
| Tboil | 353.65 ± 1.50 | K | NIST |
| Tboil | 349.07 ± 0.50 | K | NIST |
| Tboil | 349.85 ± 0.50 | K | NIST |
| Tc | 568.09 | K | Joback Calculated Property |
| Tfus | [176.65; 177.00] | K |
|
| Tfus | 177.00 | K | NIST |
| Tfus | 176.65 ± 0.50 | K | NIST |
| Vc | 0.215 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [74.60; 94.99] | J/mol×K | [365.19; 568.09] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 75 80 85 90 95 400 450 500 550 | ||||
| Cp,gas | 74.60 | J/mol×K | 365.19 | Joback Calculated Property |
| Cp,gas | 78.50 | J/mol×K | 399.01 | Joback Calculated Property |
| Cp,gas | 82.18 | J/mol×K | 432.82 | Joback Calculated Property |
| Cp,gas | 85.67 | J/mol×K | 466.64 | Joback Calculated Property |
| Cp,gas | 88.96 | J/mol×K | 500.46 | Joback Calculated Property |
| Cp,gas | 92.06 | J/mol×K | 534.28 | Joback Calculated Property |
| Cp,gas | 94.99 | J/mol×K | 568.09 | Joback Calculated Property |
| η | [0.0004631; 0.0028529] | Pa×s | [222.03; 365.19] |
|
|
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 250 300 350 | ||||
| η | 0.0028529 | Pa×s | 222.03 | Joback Calculated Property |
| η | 0.0018190 | Pa×s | 245.89 | Joback Calculated Property |
| η | 0.0012559 | Pa×s | 269.75 | Joback Calculated Property |
| η | 0.0009210 | Pa×s | 293.61 | Joback Calculated Property |
| η | 0.0007076 | Pa×s | 317.47 | Joback Calculated Property |
| η | 0.0005640 | Pa×s | 341.33 | Joback Calculated Property |
| η | 0.0004631 | Pa×s | 365.19 | Joback Calculated Property |
| ΔvapH | [29.50; 31.40] | kJ/mol | [304.00; 348.10] |
|
| ΔvapH | 31.40 | kJ/mol | 304.00 | NIST |
| ΔvapH | 29.50 | kJ/mol | 311.50 | NIST |
| ΔvapH | 30.30 | kJ/mol | 348.10 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 344.00 | K | 100.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [251.86; 378.85] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.08477e+01 | |||
| Coefficient B | -1.47780e+03 | |||
| Coefficient C | -1.11920e+02 | |||
| Temperature range, min. | 251.86 | |||
| Temperature range, max. | 378.85 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 250 300 350 | ||||
| Pvap | 1.33 | kPa | 251.86 | Calculated Property |
| Pvap | 3.51 | kPa | 265.97 | Calculated Property |
| Pvap | 7.84 | kPa | 280.08 | Calculated Property |
| Pvap | 15.49 | kPa | 294.19 | Calculated Property |
| Pvap | 27.73 | kPa | 308.30 | Calculated Property |
| Pvap | 45.92 | kPa | 322.41 | Calculated Property |
| Pvap | 71.38 | kPa | 336.52 | Calculated Property |
| Pvap | 105.32 | kPa | 350.63 | Calculated Property |
| Pvap | 148.78 | kPa | 364.74 | Calculated Property |
| Pvap | 202.64 | kPa | 378.85 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetyl bromide.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.