- InChI
- InChI=1S/C20H21NO3/c22-19-20(16-6-2-1-3-7-16,10-11-21-12-14-23-15-13-21)17-8-4-5-9-18(17)24-19/h1-9H,10-15H2
- InChI Key
- NGAHPZMFYXWQOI-UHFFFAOYSA-N
- Formula
- C20H21NO3
- SMILES
-
O=C1Oc2ccccc2C1(CCN1CCOCC1)c1c
cccc1 - Molecular Weight1
- 323.39
- CAS
- 95696-17-6
- 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).
- 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 | 0.6653 | Relay (1.0) Calculated Property | |
| ΔfG° | 37.90 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -233.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.614 | Crippen Calculated Property | |
| McVol | 246.710 | ml/mol | McGowan Calculated Property |
| Pc | 1513.01 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 692.62 | K | Relay (1.0) Calculated Property |
| Tc | 983.54 | K | Relay (1.0) Calculated Property |
| Tfus | 415.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.902 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Beta-morpholinoethyl)-3-phenyl-2-benzofuranone.
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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