- InChI
- InChI=1S/C16H18N2O/c1-13(19)17-12-10-15(14-7-3-2-4-8-14)16-9-5-6-11-18-16/h2-9,11,15H,10,12H2,1H3,(H,17,19)
- InChI Key
- ZMNXZIWMJCGGHP-UHFFFAOYSA-N
- Formula
- C16H18N2O
- SMILES
- CC(=O)NCCC(c1ccccc1)c1ccccn1
- Molecular Weight1
- 254.33
- 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 | 0.6209 | Relay (... Calculated Property | |
| ΔfG° | 248.56 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -40.08 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 99.68 | kJ/mol | Relay (... Calculated Property |
| IE | 8.74 | eV | Relay (... Calculated Property |
| log10WS | -1.95 | Relay (... Calculated Property | |
| logPoct/wat | 2.740 | Crippen Calculated Property | |
| McVol | 210.310 | ml/mol | McGowan Calculated Property |
| Pc | 2530.80 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2210.00; 2210.00] |
|
|
| Inp | 2210.00 | NIST | |
| Inp | 2210.00 | NIST | |
| Tboil | 630.37 | K | Relay (... Calculated Property |
| Tc | 923.63 | K | Relay (... Calculated Property |
| Tfus | 346.16 | K | Relay (... Calculated Property |
| Vc | 0.741 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pheniramine 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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