- InChI
- InChI=1S/C17H20BrN3O/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
- VABYWFIUOMBTBI-UHFFFAOYSA-N
- Formula
- C17H20BrN3O
- SMILES
-
CC(=O)N(C)CCN(Cc1ccc(Br)cc1)c1
ccccn1 - Molecular Weight1
- 362.26
- 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 | 0.7164 | Relay (1.0) Calculated Property | |
| ΔfG° | 355.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 26.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 117.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.329 | Crippen Calculated Property | |
| McVol | 251.880 | ml/mol | McGowan Calculated Property |
| Pc | 2147.70 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2530.00 | NIST | |
| Tboil | 675.50 | K | Relay (1.0) Calculated Property |
| Tc | 944.13 | K | Relay (1.0) Calculated Property |
| Tfus | 341.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.887 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Noradeptolon, 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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