- InChI
- InChI=1S/C15H16N2O2/c1-12(18)17(15-5-3-4-10-16-15)11-13-6-8-14(19-2)9-7-13/h3-10H,11H2,1-2H3
- InChI Key
- DZTCRDKYMKRASV-UHFFFAOYSA-N
- Formula
- C15H16N2O2
- SMILES
- COc1ccc(CN(C(C)=O)c2ccccn2)cc1
- Molecular Weight1
- 256.30
- 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 | 0.6709 | Relay (1.0) Calculated Property | |
| ΔfG° | 190.01 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -95.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.643 | Crippen Calculated Property | |
| McVol | 202.090 | ml/mol | McGowan Calculated Property |
| Pc | 2608.18 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2150.00; 2150.00] |
|
|
| Inp | 2150.00 | NIST | |
| Inp | 2150.00 | NIST | |
| Tboil | 634.46 | K | Relay (1.0) Calculated Property |
| Tc | 899.23 | K | Relay (1.0) Calculated Property |
| Tfus | 346.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.733 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Mepyramine M (N-desalkyl), 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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