- InChI
- InChI=1S/C23H29NO2/c1-19(18-24-15-9-10-16-24)23(26-20(2)25,22-13-7-4-8-14-22)17-21-11-5-3-6-12-21/h3-8,11-14,19H,9-10,15-18H2,1-2H3
- InChI Key
- XPSOFSIDLMRECY-UHFFFAOYSA-N
- Formula
- C23H29NO2
- SMILES
-
CC(=O)OC(Cc1ccccc1)(c1ccccc1)C
(C)CN1CCCC1 - Molecular Weight1
- 351.48
- CAS
- 15686-97-2
- Other Names
-
- (+)-«alpha»-Benzyl-«beta»-methyl-«alpha»-phenyl-1-pyrrolidinepropanol acetate (ester)
- Pyrrolifene
- 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 | 0.7027 | Relay (1.0) Calculated Property | |
| ΔfG° | 124.97 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -271.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 115.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.420 | Crippen Calculated Property | |
| McVol | 293.970 | ml/mol | McGowan Calculated Property |
| Pc | 1353.06 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2396.00; 2396.00] |
|
|
| Inp | 2396.00 | NIST | |
| Inp | 2396.00 | NIST | |
| Tboil | 673.55 | K | Relay (1.0) Calculated Property |
| Tc | 921.67 | K | Relay (1.0) Calculated Property |
| Tfus | 357.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.043 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrroliphene.
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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