- InChI
- InChI=1S/C19H29NO/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2
- InChI Key
- SWRUZBWLEWHWRI-UHFFFAOYSA-N
- Formula
- C19H29NO
- SMILES
-
OC(CCN1CCCCC1)(c1ccccc1)C1CCCC
1 - Molecular Weight1
- 287.44
- CAS
- 77-39-4
- Other Names
-
- Cycrimine
- Pagitane
- «alpha»-Cyclopentyl-«alpha»-phenyl-1-piperidinepropanol
- 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 | 0.7433 | Relay (1.0) Calculated Property | |
| ΔfG° | 170.74 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -196.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.940 | Crippen Calculated Property | |
| McVol | 248.940 | ml/mol | McGowan Calculated Property |
| Pc | 1553.43 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2114.00; 2175.00] |
|
|
| Inp | 2132.00 | NIST | |
| Inp | 2126.00 | NIST | |
| Inp | 2175.00 | NIST | |
| Inp | 2165.00 | NIST | |
| Inp | 2114.00 | NIST | |
| Inp | 2114.00 | NIST | |
| Tboil | 649.97 | K | Relay (1.0) Calculated Property |
| Tc | 901.94 | K | Relay (1.0) Calculated Property |
| Tfus | 383.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.900 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Piperidinepropanol, «alpha»-cyclopentyl-«alpha»-phenyl-.
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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