- InChI
- InChI=1S/C14H12BrNO/c1-10-3-2-4-11(9-10)14(17)16-13-7-5-12(15)6-8-13/h2-9H,1H3,(H,16,17)
- InChI Key
- WZXKTYYMIAREML-UHFFFAOYSA-N
- Formula
- C14H12BrNO
- SMILES
- Cc1cccc(C(=O)Nc2ccc(Br)cc2)c1
- 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 | 0.6354 | Relay (1.0) Calculated Property | |
| ΔfG° | 247.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -0.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.010 | Crippen Calculated Property | |
| McVol | 189.650 | ml/mol | McGowan Calculated Property |
| Pc | 3138.51 | kPa | Joback Calculated Property |
| Inp | 2387.00 | NIST | |
| Tboil | 644.48 | K | Relay (1.0) Calculated Property |
| Tc | 944.01 | K | Relay (1.0) Calculated Property |
| Tfus | 421.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.666 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.27; 535.06] | J/mol×K | [753.24; 1008.78] | 
|
| Cp,gas | 473.27 | J/mol×K | 753.24 | Joback Calculated Property |
| Cp,gas | 486.07 | J/mol×K | 795.83 | Joback Calculated Property |
| Cp,gas | 497.75 | J/mol×K | 838.42 | Joback Calculated Property |
| Cp,gas | 508.40 | J/mol×K | 881.01 | Joback Calculated Property |
| Cp,gas | 518.11 | J/mol×K | 923.60 | Joback Calculated Property |
| Cp,gas | 526.97 | J/mol×K | 966.19 | Joback Calculated Property |
| Cp,gas | 535.06 | J/mol×K | 1008.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(4-bromophenyl)-3-methyl-.
Sources
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