- InChI
- InChI=1S/C18H21BrN2O/c1-3-21(14(2)22)13-11-17(18-6-4-5-12-20-18)15-7-9-16(19)10-8-15/h4-10,12,17H,3,11,13H2,1-2H3
- InChI Key
- PHCMYNGETLCADV-UHFFFAOYSA-N
- Formula
- C18H21BrN2O
- SMILES
-
CCN(CCC(c1ccc(Br)cc1)c1ccccn1)
C(C)=O - Molecular Weight1
- 361.28
- 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 | 0.6671 | Relay (... Calculated Property | |
| ΔfG° | 274.81 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -59.68 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 106.85 | kJ/mol | Relay (... Calculated Property |
| IE | 8.36 | eV | Relay (... Calculated Property |
| log10WS | -3.19 | Relay (... Calculated Property | |
| logPoct/wat | 4.235 | Crippen Calculated Property | |
| McVol | 255.990 | ml/mol | McGowan Calculated Property |
| Pc | 1898.71 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2195.00; 2195.00] |
|
|
| Inp | 2195.00 | NIST | |
| Inp | 2195.00 | NIST | |
| Tboil | 671.24 | K | Relay (... Calculated Property |
| Tc | 932.36 | K | Relay (... Calculated Property |
| Tfus | 338.91 | K | Relay (... Calculated Property |
| Vc | 0.892 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Brompheniramine (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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