- InChI
- InChI=1S/C15H14BrNO/c1-2-11-3-5-12(6-4-11)15(18)17-14-9-7-13(16)8-10-14/h3-10H,2H2,1H3,(H,17,18)
- InChI Key
- AIQFMLWABGCAHE-UHFFFAOYSA-N
- Formula
- C15H14BrNO
- SMILES
- CCc1ccc(C(=O)Nc2ccc(Br)cc2)cc1
- Molecular Weight1
- 304.18
- CAS
- 300670-74-0
- Other Names
-
- Benzamide, N-(4-bromophenyl)-4-ethyl-
- 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° | 255.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 64.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.48 | kJ/mol | Joback Calculated Property |
| log10WS | -5.41 | Crippen Calculated Property | |
| logPoct/wat | 4.264 | Crippen Calculated Property | |
| McVol | 203.740 | ml/mol | McGowan Calculated Property |
| Pc | 2826.33 | kPa | Joback Calculated Property |
| Inp | 2509.00 | NIST | |
| Tboil | 776.12 | K | Joback Calculated Property |
| Tc | 1026.15 | K | Joback Calculated Property |
| Tfus | 499.08 | K | Joback Calculated Property |
| Vc | 0.762 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.91; 590.31] | J/mol×K | [776.12; 1026.15] | 
|
| Cp,gas | 525.91 | J/mol×K | 776.12 | Joback Calculated Property |
| Cp,gas | 539.14 | J/mol×K | 817.79 | Joback Calculated Property |
| Cp,gas | 551.25 | J/mol×K | 859.46 | Joback Calculated Property |
| Cp,gas | 562.33 | J/mol×K | 901.14 | Joback Calculated Property |
| Cp,gas | 572.48 | J/mol×K | 942.81 | Joback Calculated Property |
| Cp,gas | 581.78 | J/mol×K | 984.48 | Joback Calculated Property |
| Cp,gas | 590.31 | J/mol×K | 1026.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(4-Bromo-phenyl)-4-ethyl-benzamide.
Sources
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