- InChI
- InChI=1S/C23H25NO2/c25-22-23(17-9-3-1-4-10-17)15-19(26-21-14-8-7-13-20(21)23)16-24(22)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18-19H,2,5-6,11-12,15-16H2
- InChI Key
- UWOMNSAPCNHFGY-UHFFFAOYSA-N
- Formula
- C23H25NO2
- SMILES
-
O=C1N(C2CCCCC2)CC2CC1(c1ccccc1
)c1ccccc1O2 - Molecular Weight1
- 347.45
- CAS
- 101501-17-1
- 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 | 0.5803 | Relay (1.0) Calculated Property | |
| ΔfG° | 220.19 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -131.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.299 | Crippen Calculated Property | |
| McVol | 272.250 | ml/mol | McGowan Calculated Property |
| Pc | 1200.62 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 704.84 | K | Relay (1.0) Calculated Property |
| Tc | 1050.45 | K | Relay (1.0) Calculated Property |
| Tfus | 412.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.001 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Methano-1,4(2h)-benzoxazocin-5(6h)-one,4(3h)-cyclohexyl-6-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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