- InChI
- InChI=1S/C18H21NO/c1-18(2,3)15-9-10-17-14(11-15)12-19(13-20-17)16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3
- InChI Key
- INQHAWUMPJGNOM-UHFFFAOYSA-N
- Formula
- C18H21NO
- SMILES
-
CC(C)(C)c1ccc2c(c1)CN(c1ccccc1
)CO2 - Molecular Weight1
- 267.37
- CAS
- 55955-97-0
- Other Names
-
- 6-Tert-butyl-3-phenyl-3,4-dihydro-2h-1,3-benzoxazine
- 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 | 0.5580 | Relay (1.0) Calculated Property | |
| ΔfG° | 262.17 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 3.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.341 | Crippen Calculated Property | |
| McVol | 221.950 | ml/mol | McGowan Calculated Property |
| Pc | 1869.91 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 644.74 | K | Relay (1.0) Calculated Property |
| Tc | 913.41 | K | Relay (1.0) Calculated Property |
| Tfus | 374.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.816 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2H-1,3-Benzoxazine, 6-(1,1-dimethylethyl)-3,4-dihydro-3-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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