- InChI
- InChI=1S/C17H23N3O/c1-3-15-16(13-7-5-4-6-8-13)18-20(17(15)21)14-9-11-19(2)12-10-14/h4-8,14,18H,3,9-12H2,1-2H3
- InChI Key
- LBFGQUCAQWAFNN-UHFFFAOYSA-N
- Formula
- C17H23N3O
- SMILES
-
CCc1c(-c2ccccc2)[nH]n(C2CCN(C)
CC2)c1=O - Molecular Weight1
- 285.38
- 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 | 0.6597 | Relay (1.0) Calculated Property | |
| ΔfG° | 302.93 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -6.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 115.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.191 | Crippen Calculated Property | |
| McVol | 232.120 | ml/mol | McGowan Calculated Property |
| Pc | 1804.98 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2300.00; 2320.00] |
|
|
| Inp | 2300.00 | NIST | |
| Inp | 2320.00 | NIST | |
| Inp | 2300.00 | NIST | |
| Tboil | 675.99 | K | Relay (1.0) Calculated Property |
| Tc | 954.50 | K | Relay (1.0) Calculated Property |
| Tfus | 473.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.855 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to piperylon.
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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