- InChI
- InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3
- InChI Key
- RGPDEAGGEXEMMM-UHFFFAOYSA-N
- Formula
- C17H19NO
- SMILES
- CN1CCOC(c2ccccc2)c2ccccc2C1
- Molecular Weight1
- 253.34
- CAS
- 13669-70-0
- Other Names
-
- 1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-
- Fenazoxine
- 3,4,5,6-Tetrahydro-5-methyl-2-phenyl-1H-2,5-benzoxazocine
- 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 | 0.4701 | Relay (1.0) Calculated Property | |
| ΔfG° | 288.66 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 76.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.238 | Crippen Calculated Property | |
| McVol | 207.860 | ml/mol | McGowan Calculated Property |
| Pc | 2452.47 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2017.00 | NIST | |
| Tboil | 620.42 | K | Relay (1.0) Calculated Property |
| Tc | 884.56 | K | Relay (1.0) Calculated Property |
| Tfus | 377.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.744 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Nefopam.
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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