- InChI
- InChI=1S/C12H16BrNO/c1-2-3-4-8-14-12(15)10-6-5-7-11(13)9-10/h5-7,9H,2-4,8H2,1H3,(H,14,15)
- InChI Key
- FPVZVKLBFHUYOM-UHFFFAOYSA-N
- Formula
- C12H16BrNO
- SMILES
- CCCCCN=C(O)c1cccc(Br)c1
- Molecular Weight1
- 270.17
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.7955 | Relay (1.0) Calculated Property | |
| ΔfG° | 63.42 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -196.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.944 | Crippen Calculated Property | |
| McVol | 185.230 | ml/mol | McGowan Calculated Property |
| Pc | 2517.59 | kPa | Joback Calculated Property |
| Inp | [2057.00; 2057.00] |
|
|
| Inp | 2057.00 | NIST | |
| Inp | 2057.00 | NIST | |
| Tboil | 617.04 | K | Relay (1.0) Calculated Property |
| Tc | 828.09 | K | Relay (1.0) Calculated Property |
| Tfus | 345.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.645 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-bromo-N-pentyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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