- InChI
- InChI=1S/C16H17BrN2O/c1-12(20)18-11-9-15(16-4-2-3-10-19-16)13-5-7-14(17)8-6-13/h2-8,10,15H,9,11H2,1H3,(H,18,20)
- InChI Key
- KEKRTYBPZPYZSJ-UHFFFAOYSA-N
- Formula
- C16H17BrN2O
- SMILES
-
CC(=O)NCCC(c1ccc(Br)cc1)c1cccc
n1 - Molecular Weight1
- 333.22
- 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 | 0.6547 | Relay (1.0) Calculated Property | |
| ΔfG° | 222.66 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -48.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.502 | Crippen Calculated Property | |
| McVol | 227.810 | ml/mol | McGowan Calculated Property |
| Pc | 2376.64 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2170.00 | NIST | |
| Tboil | 661.35 | K | Relay (1.0) Calculated Property |
| Tc | 951.43 | K | Relay (1.0) Calculated Property |
| Tfus | 364.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.780 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Brompheniramine M (bis-nor), acetylated.
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
- McGowan Method
- NIST Webbook
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