- InChI
- InChI=1S/C14H20BrNO/c1-2-3-4-5-6-7-14(17)16-13-10-8-12(15)9-11-13/h8-11H,2-7H2,1H3,(H,16,17)
- InChI Key
- KBXUYPJOGOGXDD-UHFFFAOYSA-N
- Formula
- C14H20BrNO
- SMILES
- CCCCCCCC(=O)Nc1ccc(Br)cc1
- Molecular Weight1
- 298.22
- 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° | 144.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -140.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.31 | kJ/mol | Joback Calculated Property |
| log10WS | -5.35 | Crippen Calculated Property | |
| logPoct/wat | 4.748 | Crippen Calculated Property | |
| McVol | 213.410 | ml/mol | McGowan Calculated Property |
| Pc | 2265.42 | kPa | Joback Calculated Property |
| Inp | 2253.00 | NIST | |
| Tboil | 721.58 | K | Joback Calculated Property |
| Tc | 935.27 | K | Joback Calculated Property |
| Tfus | 448.87 | K | Joback Calculated Property |
| Vc | 0.815 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [563.56; 637.82] | J/mol×K | [721.58; 935.27] | 
|
| Cp,gas | 563.56 | J/mol×K | 721.58 | Joback Calculated Property |
| Cp,gas | 578.10 | J/mol×K | 757.19 | Joback Calculated Property |
| Cp,gas | 591.71 | J/mol×K | 792.81 | Joback Calculated Property |
| Cp,gas | 604.43 | J/mol×K | 828.42 | Joback Calculated Property |
| Cp,gas | 616.32 | J/mol×K | 864.04 | Joback Calculated Property |
| Cp,gas | 627.44 | J/mol×K | 899.65 | Joback Calculated Property |
| Cp,gas | 637.82 | J/mol×K | 935.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanamide, N-(4-bromophenyl)-.
Sources
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