- InChI
- InChI=1S/C14H22N2O2/c1-14(18)10-11(15-6-2-3-7-15)12(13(14)17)16-8-4-5-9-16/h18H,2-10H2,1H3
- InChI Key
- AQQYFYYRFLYWIQ-UHFFFAOYSA-N
- Formula
- C14H22N2O2
- SMILES
-
CC1(O)CC(N2CCCC2)=C(N2CCCC2)C1
=O - Molecular Weight1
- 250.34
- 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).
- I : 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 | 0.7302 | Relay (... Calculated Property | |
| ΔfG° | 12.57 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -331.35 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 93.22 | kJ/mol | Relay (... Calculated Property |
| IE | 7.23 | eV | Relay (... Calculated Property |
| log10WS | -1.88 | Relay (... Calculated Property | |
| logPoct/wat | 1.113 | Crippen Calculated Property | |
| McVol | 198.640 | ml/mol | McGowan Calculated Property |
| Pc | 1647.16 | kPa | Relay (... Calculated Property ⚠️ |
| I | [3000.00; 3000.00] |
|
|
| I | 3000.00 | NIST | |
| I | 3000.00 | NIST | |
| Tboil | 596.35 | K | Relay (... Calculated Property |
| Tc | 885.66 | K | Relay (... Calculated Property |
| Tfus | 374.31 | K | Relay (... Calculated Property |
| Vc | 0.745 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hydroxy-5-methyl-2,3-bis-(1-pyrrolidinyl)-2-cyclopenten-1-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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