- 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
- Asepsin
- 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
- p-Bromo-N-acetanilide
- p-Bromoacetanalide
- p-Bromoacetanilide
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- 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° | 94.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -16.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.11 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 110.00 ± 4.00 | kJ/mol | NIST |
| ΔvapH° | 55.96 | kJ/mol | Joback Calculated Property |
| 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. Sol... | |
| log10WS | -3.08 | Estimat... | |
| logPoct/wat | 2.408 | Crippen Calculated Property | |
| McVol | 128.870 | ml/mol | McGowan Calculated Property |
| Pc | 4299.92 | kPa | Joback Calculated Property |
| Tboil | 584.30 | K | Joback Calculated Property |
| Tc | 822.49 | K | Joback Calculated Property |
| Tfus | [440.30; 440.82] | K |
|
| Tfus | 440.82 | K | Aq. Sol... |
| Tfus | 440.30 | K | Vapor p... |
| Vc | 0.478 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [267.43; 320.08] | J/mol×K | [584.30; 822.49] |
|
| Cp,gas | 267.43 | J/mol×K | 584.30 | Joback Calculated Property |
| Cp,gas | 278.04 | J/mol×K | 624.00 | Joback Calculated Property |
| Cp,gas | 287.86 | J/mol×K | 663.70 | Joback Calculated Property |
| Cp,gas | 296.93 | J/mol×K | 703.40 | Joback Calculated Property |
| Cp,gas | 305.29 | J/mol×K | 743.10 | Joback Calculated Property |
| Cp,gas | 312.99 | J/mol×K | 782.80 | Joback Calculated Property |
| Cp,gas | 320.08 | J/mol×K | 822.49 | Joback Calculated Property |
| 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 |
Similar Compounds
Find more compounds similar to Acetamide, N-(4-bromophenyl)-.
Sources
- Crippen Method
- Vapor pressures and standard molar enthalpies, entropies and Gibbs energies of sublimation of three 4-substituted acetanilide derivatives
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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