- InChI
- InChI=1S/C14H12BrNO/c15-12-6-8-13(9-7-12)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
- InChI Key
- XFXSNNWNLVLUOY-UHFFFAOYSA-N
- Formula
- C14H12BrNO
- SMILES
- O=C(Cc1ccccc1)Nc1ccc(Br)cc1
- Molecular Weight1
- 290.15
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6053 | Relay (1.0) Calculated Property | |
| ΔfG° | 256.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 20.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.630 | Crippen Calculated Property | |
| McVol | 189.650 | ml/mol | McGowan Calculated Property |
| Pc | 3191.93 | kPa | Joback Calculated Property |
| Inp | 2265.00 | NIST | |
| Tboil | 639.51 | K | Relay (1.0) Calculated Property |
| Tc | 935.35 | K | Relay (1.0) Calculated Property |
| Tfus | 410.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.80; 537.05] | J/mol×K | [748.26; 1003.03] | 
|
| Cp,gas | 474.80 | J/mol×K | 748.26 | Joback Calculated Property |
| Cp,gas | 487.72 | J/mol×K | 790.72 | Joback Calculated Property |
| Cp,gas | 499.50 | J/mol×K | 833.18 | Joback Calculated Property |
| Cp,gas | 510.21 | J/mol×K | 875.65 | Joback Calculated Property |
| Cp,gas | 519.98 | J/mol×K | 918.11 | Joback Calculated Property |
| Cp,gas | 528.89 | J/mol×K | 960.57 | Joback Calculated Property |
| Cp,gas | 537.05 | J/mol×K | 1003.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(4-bromophenyl)-2-phenyl-.
Sources
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