- InChI
- InChI=1S/C20H29NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2,4-5,8-9,17-18,23H,3,6-7,10-15H2,1H3
- InChI Key
- QZPMHVOJMAXMND-UHFFFAOYSA-N
- Formula
- C20H29NO3
- SMILES
-
CN1CCC(OC(=O)C(O)(c2ccccc2)C2C
CCCC2)CC1 - Molecular Weight1
- 331.45
- CAS
- 33445-17-9
- 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).
- 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 | 0.7995 | Relay (1.0) Calculated Property | |
| ΔfG° | -89.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -539.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 105.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.092 | Crippen Calculated Property | |
| McVol | 270.470 | ml/mol | McGowan Calculated Property |
| Pc | 1324.26 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2408.00 | NIST | |
| Tboil | 660.32 | K | Relay (1.0) Calculated Property |
| Tc | 933.98 | K | Relay (1.0) Calculated Property |
| Tfus | 394.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.970 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methyl-4-piperidyl cyclohexylphenylglycolate.
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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