- InChI
- InChI=1S/C14H13ClN2O/c1-11(18)17(14-4-2-3-9-16-14)10-12-5-7-13(15)8-6-12/h2-9H,10H2,1H3
- InChI Key
- REAVSAMTUGMZRP-UHFFFAOYSA-N
- Formula
- C14H13ClN2O
- SMILES
- CC(=O)N(Cc1ccc(Cl)cc1)c1ccccn1
- Molecular Weight1
- 260.72
- 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 | 0.5871 | Relay (1.0) Calculated Property | |
| ΔfG° | 252.85 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -5.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.288 | Crippen Calculated Property | |
| McVol | 194.370 | ml/mol | McGowan Calculated Property |
| Pc | 2949.41 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2160.00 | NIST | |
| Tboil | 627.60 | K | Relay (1.0) Calculated Property |
| Tc | 906.47 | K | Relay (1.0) Calculated Property |
| Tfus | 330.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.696 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Chloropyramine, 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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