- InChI
- InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
- InChI Key
- XXHOHJTVFUJJMT-UHFFFAOYSA-N
- Formula
- C8H8BrNO
- SMILES
- CC(=O)Nc1cccc(Br)c1
- Molecular Weight1
- 214.06
- CAS
- 621-38-5
- Other Names
-
- Acetanilide, 3'-bromo-
- 3-Bromoacetanilide
- 3'-Bromoacetanilide
- N-(3-Bromophenyl)acetic acid amide
- ω : Acentric Factor.
- 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).
- 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 | 0.5087 | Relay (1.0) Calculated Property | |
| ΔfG° | 94.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -117.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 ± 0.20 | eV | NIST |
| log10WS | -2.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.408 | Crippen Calculated Property | |
| McVol | 128.870 | ml/mol | McGowan Calculated Property |
| Pc | 4299.92 | kPa | Joback Calculated Property |
| Tboil | 559.11 | K | Relay (1.0) Calculated Property |
| Tc | 819.92 | K | Relay (1.0) Calculated Property |
| Tfus | 344.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.449 | m3/kmol | Relay (1.0) 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 |
Similar Compounds
Find more compounds similar to Acetamide, N-(3-bromophenyl)-.
Sources
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