- InChI
- InChI=1S/C27H30N2O/c30-26(20-23-12-4-1-5-13-23)28-21-27(22-29-18-10-11-19-29,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17H,10-11,18-22H2,(H,28,30)
- InChI Key
- BZFXCKUBIBPKTI-UHFFFAOYSA-N
- Formula
- C27H30N2O
- SMILES
-
O=C(Cc1ccccc1)NCC(CN1CCCC1)(c1
ccccc1)c1ccccc1 - Molecular Weight1
- 398.54
- CAS
- 116595-10-9
- 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 | 0.7873 | Relay (... Calculated Property | |
| ΔfG° | 451.31 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 82.91 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 133.35 | kJ/mol | Relay (... Calculated Property |
| IE | 8.14 | eV | Relay (... Calculated Property |
| log10WS | -3.85 | Relay (... Calculated Property | |
| logPoct/wat | 4.427 | Crippen Calculated Property | |
| McVol | 330.680 | ml/mol | McGowan Calculated Property |
| Pc | 1178.87 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 727.50 | K | Relay (... Calculated Property |
| Tc | 1067.58 | K | Relay (... Calculated Property |
| Tfus | 394.67 | K | Relay (... Calculated Property |
| Vc | 1.162 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1-(1-Pyrrolidinyl)-2,2-diphenyl-3-(phenylacetamido)propane.
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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