- InChI
- InChI=1S/C17H18BrNO/c1-2-3-4-13-5-7-14(8-6-13)17(20)19-16-11-9-15(18)10-12-16/h5-12H,2-4H2,1H3,(H,19,20)
- InChI Key
- GGCPPTSCKWIRBQ-UHFFFAOYSA-N
- Formula
- C17H18BrNO
- SMILES
-
CCCCc1ccc(C(=O)Nc2ccc(Br)cc2)c
c1 - Molecular Weight1
- 332.24
- 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° | 272.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 23.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.93 | kJ/mol | Joback Calculated Property |
| log10WS | -6.25 | Crippen Calculated Property | |
| logPoct/wat | 5.044 | Crippen Calculated Property | |
| McVol | 231.920 | ml/mol | McGowan Calculated Property |
| Pc | 2327.03 | kPa | Joback Calculated Property |
| Inp | 2743.00 | NIST | |
| Tboil | 821.88 | K | Joback Calculated Property |
| Tc | 1062.55 | K | Joback Calculated Property |
| Tfus | 521.62 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [634.43; 703.00] | J/mol×K | [821.88; 1062.55] | 
|
| Cp,gas | 634.43 | J/mol×K | 821.88 | Joback Calculated Property |
| Cp,gas | 648.31 | J/mol×K | 861.99 | Joback Calculated Property |
| Cp,gas | 661.09 | J/mol×K | 902.10 | Joback Calculated Property |
| Cp,gas | 672.86 | J/mol×K | 942.21 | Joback Calculated Property |
| Cp,gas | 683.71 | J/mol×K | 982.32 | Joback Calculated Property |
| Cp,gas | 693.73 | J/mol×K | 1022.43 | Joback Calculated Property |
| Cp,gas | 703.00 | J/mol×K | 1062.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(4-bromophenyl)-4-butyl-.
Sources
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