- InChI
- InChI=1S/C22H29NO/c1-21(2,3)15-22(4,5)18-11-12-20-17(13-18)14-23(16-24-20)19-9-7-6-8-10-19/h6-13H,14-16H2,1-5H3
- InChI Key
- VERSMYMNMADGSM-UHFFFAOYSA-N
- Formula
- C22H29NO
- SMILES
-
CC(C)(C)CC(C)(C)c1ccc2c(c1)CN(
c1ccccc1)CO2 - Molecular Weight1
- 323.47
- 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 | 0.6423 | Relay (... Calculated Property | |
| ΔfG° | 281.92 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -99.71 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 102.95 | kJ/mol | Relay (... Calculated Property |
| IE | 7.45 | eV | Relay (... Calculated Property |
| log10WS | -6.69 | Relay (... Calculated Property | |
| logPoct/wat | 5.757 | Crippen Calculated Property | |
| McVol | 278.310 | ml/mol | McGowan Calculated Property |
| Pc | 1291.66 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 674.45 | K | Relay (... Calculated Property |
| Tc | 938.76 | K | Relay (... Calculated Property |
| Tfus | 398.09 | K | Relay (... Calculated Property |
| Vc | 1.016 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dihydro-3-phenyl-6-(1,1,3,3-tetramethylbutyl)-2h-1,3-benzoxazine.
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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