- InChI
- InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)
- InChI Key
- FVNFBBAOMBJTST-UHFFFAOYSA-N
- Formula
- C15H20N2O2
- SMILES
- O=C1NCC2(CCN(CCc3ccccc3)CC2)O1
- Molecular Weight1
- 260.33
- CAS
- 5053-08-7
- Other Names
-
- 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride
- 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 | 0.6036 | Relay (... Calculated Property | |
| ΔfG° | 90.38 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -275.51 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 118.29 | kJ/mol | Relay (... Calculated Property |
| IE | 8.42 | eV | Relay (... Calculated Property |
| log10WS | -1.65 | Relay (... Calculated Property | |
| logPoct/wat | 1.803 | Crippen Calculated Property | |
| McVol | 204.130 | ml/mol | McGowan Calculated Property |
| Pc | 2080.60 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2530.00; 2530.00] |
|
|
| Inp | 2530.00 | NIST | |
| Inp | 2530.00 | NIST | |
| Tboil | 651.57 | K | Relay (... Calculated Property |
| Tc | 898.66 | K | Relay (... Calculated Property |
| Tfus | 395.44 | K | Relay (... Calculated Property |
| Vc | 0.745 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Fenspiride.
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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