- 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
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3522 | Relay (1.0) Calculated Property | |
| 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 | -0.32 | Relay (1.0) 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 | 562.98 | K | Relay (1.0) Calculated Property |
| Tfus | [176.65; 177.00] | K |
|
| Tfus | 177.00 | K | NIST |
| Tfus | 176.65 ± 0.50 | K | NIST |
| Vc | 0.227 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|
| Cp,gas | [62.82; 120.60] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.66200e+01 | |||
| Coefficient B | 2.04020e-01 | |||
| Coefficient C | -1.37700e-04 | |||
| Coefficient D | 3.76600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 62.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 73.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 82.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 90.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 97.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 103.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 108.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 113.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 117.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 120.60 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0093368; 0.0003673] | Pa×s | [176.82; 397.88] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.04972e+01 | |||
| Coefficient B | 1.02973e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 176.82 | |||
| Temperature range, max. | 397.88 | |||
| η | 0.0093368 | Pa×s | 176.82 | Calculated Property |
| η | 0.0045892 | Pa×s | 201.39 | Calculated Property |
| η | 0.0026324 | Pa×s | 225.95 | Calculated Property |
| η | 0.0016838 | Pa×s | 250.51 | Calculated Property |
| η | 0.0011665 | Pa×s | 275.07 | Calculated Property |
| η | 0.0008582 | Pa×s | 299.64 | Calculated Property |
| η | 0.0006615 | Pa×s | 324.20 | Calculated Property |
| η | 0.0005289 | Pa×s | 348.76 | Calculated Property |
| η | 0.0004355 | Pa×s | 373.32 | Calculated Property |
| η | 0.0003673 | Pa×s | 397.88 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [251.86; 378.85] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 | |||
| 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 |
| Pvap | [5.81; 54.43] | kPa | [275.60; 333.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.06713e+01 | |||
| Coefficient B | -1.54485e+03 | |||
| Coefficient C | -1.02240e+02 | |||
| Reference | Devore and O'Neal, 1969 | |||
| Temperature range, min. | 275.60 | |||
| Temperature range, max. | 333.70 | |||
| Pvap | 5.81 | kPa | 275.60 | Calculated Property |
| Pvap | 8.00 | kPa | 282.06 | Calculated Property |
| Pvap | 10.78 | kPa | 288.51 | Calculated Property |
| Pvap | 14.23 | kPa | 294.97 | Calculated Property |
| Pvap | 18.45 | kPa | 301.42 | Calculated Property |
| Pvap | 23.54 | kPa | 307.88 | Calculated Property |
| Pvap | 29.59 | kPa | 314.33 | Calculated Property |
| Pvap | 36.69 | kPa | 320.79 | Calculated Property |
| Pvap | 44.94 | kPa | 327.24 | Calculated Property |
| Pvap | 54.43 | kPa | 333.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetyl bromide.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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