- InChI
- InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
- InChI Key
- MSLICLMCQYQNPK-UHFFFAOYSA-N
- Formula
- C8H8BrNO
- SMILES
- CC(=O)Nc1ccc(Br)cc1
- Molecular Weight1
- 214.06
- CAS
- 103-88-8
- Other Names
-
- 1-(N-Acetylamino)-4-bromobenzene
- 1-Bromo-4-acetamidobenzene
- 4'-Bromoacetanilide
- 4-bromoacetanilide
- Acetamide, N-(p-bromophenyl)-
- Acetanilide, 4'-bromo-
- Acetanilide, p-bromo-
- Antisepsin
- Bromoacetanilide
- Bromoanalide
- Bromoanilide
- Bromoantifebrin
- Monobromoacetanilide
- N-(4-bromophenyl)acetamide
- N-(p-bromophenyl)acetamide
- N-acetyl-4-bromoaniline
- N-acetyl-p-bromoaniline
- NSC 105442
- USAF DO-40
- asepsin
- p-Bromoacetanalide
- p-bromo-N-acetanilide
- p-bromoacetanilide
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -116.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.11 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 110.00 ± 4.00 | kJ/mol | NIST |
| IE | [8.17; 8.40] | eV |
|
| IE | 8.17 ± 0.03 | eV | NIST |
| IE | 8.40 ± 0.20 | eV | NIST |
| log10WS | [-3.08; -3.08] |
|
|
| log10WS | -3.08 | Aq. Solubility Prediction | |
| log10WS | -3.08 | Estimated Solubility | |
| logPoct/wat | 2.408 | Crippen Calculated Property | |
| McVol | 128.870 | ml/mol | McGowan Calculated Property |
| Tboil | 559.84 | K | Relay (1.0) Calculated Property |
| Tfus | [440.30; 440.82] | K |
|
| Tfus | 440.30 | K | Vapor pressures and standard molar enthalpies, entropies and Gibbs energies of sublimation of three 4-substituted acetanilide derivatives |
| Tfus | 440.82 | K | Aq. Solubility Prediction |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [25.80; 26.00] | kJ/mol | [440.30; 441.20] |
|
| ΔfusH | 26.00 | kJ/mol | 440.30 | NIST |
| ΔfusH | 25.80 | kJ/mol | 441.20 | NIST |
| ΔvapH | [77.00; 78.00] | kJ/mol | [460.00; 480.00] |
|
| ΔvapH | 77.00 ± 1.00 | kJ/mol | 460.00 | NIST |
| ΔvapH | 78.00 ± 2.00 | kJ/mol | 480.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.58; 345.47] | 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 | -9.65000e+00 | |||
| Coefficient B | 7.11820e-01 | |||
| Coefficient C | -4.76860e-04 | |||
| Coefficient D | 1.20160e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 151.58 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 187.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 219.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 246.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 270.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 290.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 308.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 322.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 335.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 345.47 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(4-bromophenyl)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Vapor pressures and standard molar enthalpies, entropies and Gibbs energies of sublimation of three 4-substituted acetanilide derivatives
- Sublimation enthalpies of 9 substituted acetanilides at 298 K estimated by solution calorimetry approach
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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.
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