- InChI
- InChI=1S/C17H25NO2/c1-4-14-13-18(3)12-11-17(14,20-16(19)5-2)15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3
- InChI Key
- ODEGQXRCQDVXSJ-UHFFFAOYSA-N
- Formula
- C17H25NO2
- SMILES
-
CCC(=O)OC1(c2ccccc2)CCN(C)CC1C
C - Molecular Weight1
- 275.39
- CAS
- 468-50-8
- 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 | 0.5764 | Relay (1.0) Calculated Property | |
| ΔfG° | -11.10 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -332.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 85.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.197 | Crippen Calculated Property | |
| McVol | 233.190 | ml/mol | McGowan Calculated Property |
| Pc | 1731.40 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1823.00; 1823.00] |
|
|
| Inp | 1823.00 | NIST | |
| Inp | 1823.00 | NIST | |
| Tboil | 596.12 | K | Relay (1.0) Calculated Property |
| Tc | 816.45 | K | Relay (1.0) Calculated Property |
| Tfus | 325.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.816 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Betameprodine.
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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