- InChI
- InChI=1S/C15H14BrNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,17,18)
- InChI Key
- HGPWLPIFXDCULJ-UHFFFAOYSA-N
- Formula
- C15H14BrNO
- SMILES
- O=C(CCc1ccccc1)Nc1ccc(Br)cc1
- Molecular Weight1
- 304.18
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 265.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 75.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.81 | kJ/mol | Joback Calculated Property |
| log10WS | -4.87 | Crippen Calculated Property | |
| logPoct/wat | 4.020 | Crippen Calculated Property | |
| McVol | 203.740 | ml/mol | McGowan Calculated Property |
| Pc | 2871.95 | kPa | Joback Calculated Property |
| Inp | [2423.00; 2423.00] |
|
|
| Inp | 2423.00 | NIST | |
| Inp | 2423.00 | NIST | |
| Tboil | 771.14 | K | Joback Calculated Property |
| Tc | 1020.43 | K | Joback Calculated Property |
| Tfus | 486.56 | K | Joback Calculated Property |
| Vc | 0.762 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.37; 592.23] | J/mol×K | [771.14; 1020.43] |
|
| Cp,gas | 527.37 | J/mol×K | 771.14 | Joback Calculated Property |
| Cp,gas | 540.71 | J/mol×K | 812.69 | Joback Calculated Property |
| Cp,gas | 552.90 | J/mol×K | 854.24 | Joback Calculated Property |
| Cp,gas | 564.05 | J/mol×K | 895.79 | Joback Calculated Property |
| Cp,gas | 574.26 | J/mol×K | 937.34 | Joback Calculated Property |
| Cp,gas | 583.62 | J/mol×K | 978.88 | Joback Calculated Property |
| Cp,gas | 592.23 | J/mol×K | 1020.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(4-bromophenyl)-3-phenyl-.
Sources
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