- InChI
- InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3
- InChI Key
- DUDKAZCAISNGQN-UHFFFAOYSA-N
- Formula
- C20H28N2O3
- SMILES
-
CN1CCCN=C1COC(=O)C(O)(c1ccccc1
)C1CCCCC1 - Molecular Weight1
- 344.45
- CAS
- 125-53-1
- Other Names
-
- Benzeneacetic acid, «alpha»-cyclohexyl-«alpha»-hydroxy-, (1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)methyl ester
- (1,4,5,6-Tetrahydro-1-methyl-2-pyrimidinyl)methyl «alpha»-phenylcyclohexaneglycolate
- Antulcus
- Caridan
- Naridan
- Zamanil
- 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 | 0.8575 | Relay (1.0) Calculated Property | |
| ΔfG° | -14.97 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -458.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 110.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.732 | Crippen Calculated Property | |
| McVol | 276.150 | ml/mol | McGowan Calculated Property |
| Pc | 1271.11 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 666.82 | K | Relay (1.0) Calculated Property |
| Tc | 977.19 | K | Relay (1.0) Calculated Property |
| Tfus | 371.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.974 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Oxyphencyclimine.
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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