![1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one](/cid/117-538-5/1-Phenyl-1-3-8-triazaspiro-4-5-decan-4-one.png "1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one")
- InChI
- InChI=1S/C13H17N3O/c17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,17)
- InChI Key
- HTQWGIHCFPWKAS-UHFFFAOYSA-N
- Formula
- C13H17N3O
- SMILES
- O=C1NCN(c2ccccc2)C12CCNCC2
- Molecular Weight1
- 231.29
- CAS
- 1021-25-6
- Other Names
-
- 1,3,8-Triazaspiro[4.5]decan-4-one, 1-phenyl-
- 1-Phenyl-1,3,8-triazaspiro[4,5]decan-4-one
- 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 | 0.5239 | Relay (... Calculated Property | |
| ΔfG° | 249.31 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 35.07 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 110.12 | kJ/mol | Relay (... Calculated Property |
| IE | 7.90 | eV | Relay (... Calculated Property |
| log10WS | -1.35 | Relay (... Calculated Property | |
| logPoct/wat | 0.702 | Crippen Calculated Property | |
| McVol | 180.060 | ml/mol | McGowan Calculated Property |
| Pc | 2730.78 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 644.20 | K | Relay (... Calculated Property |
| Tc | 930.88 | K | Relay (... Calculated Property |
| Tfus | 457.37 | K | Relay (... Calculated Property |
| Vc | 0.608 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
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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