- InChI
- InChI=1S/C19H25N3O6/c1-14(28-16(3)24)18-20-22(10-7-12-26-15(2)23)19(25)21(18)11-13-27-17-8-5-4-6-9-17/h4-6,8-9,14H,7,10-13H2,1-3H3
- InChI Key
- SHODBRRFZSWYJQ-UHFFFAOYSA-N
- Formula
- C19H25N3O6
- SMILES
-
CC(=O)OCCCn1nc(C(C)OC(C)=O)n(C
COc2ccccc2)c1=O - Molecular Weight1
- 391.42
- 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 | 1.0343 | Relay (1.0) Calculated Property | |
| ΔfG° | -204.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -851.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 123.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.701 | Crippen Calculated Property | |
| McVol | 291.910 | ml/mol | McGowan Calculated Property |
| Pc | 1351.97 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2645.00 | NIST | |
| Tboil | 692.99 | K | Relay (1.0) Calculated Property |
| Tc | 928.56 | K | Relay (1.0) Calculated Property |
| Tfus | 374.12 | K | Relay (1.0) Calculated Property |
| Vc | 1.102 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Nefazodone-M (HO-ethyl-desamino-HO-) AC.
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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