- InChI
- InChI=1S/C17H20ClN3O/c1-14(22)20(2)11-12-21(17-5-3-4-10-19-17)13-15-6-8-16(18)9-7-15/h3-10H,11-13H2,1-2H3
- InChI Key
- QGDXHDBOTGUHNV-UHFFFAOYSA-N
- Formula
- C17H20ClN3O
- SMILES
-
CC(=O)N(C)CCN(Cc1ccc(Cl)cc1)c1
ccccn1 - Molecular Weight1
- 317.81
- 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 | 0.7054 | Relay (1.0) Calculated Property | |
| ΔfG° | 348.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -20.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.220 | Crippen Calculated Property | |
| McVol | 246.620 | ml/mol | McGowan Calculated Property |
| Pc | 2162.29 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2470.00 | NIST | |
| Tboil | 664.23 | K | Relay (1.0) Calculated Property |
| Tc | 934.20 | K | Relay (1.0) Calculated Property |
| Tfus | 331.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.880 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Norchloropyramine, 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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