- InChI
- InChI=1S/C13H19NO/c1-11(2)14-8-9-15-13(10-14)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
- InChI Key
- CHHFZVOTWWUPDQ-UHFFFAOYSA-N
- Formula
- C13H19NO
- SMILES
- CC(C)N1CCOC(c2ccccc2)C1
- Molecular Weight1
- 205.30
- 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 | 0.3998 | Relay (1.0) Calculated Property | |
| ΔfG° | 168.19 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -68.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 72.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.468 | Crippen Calculated Property | |
| McVol | 175.260 | ml/mol | McGowan Calculated Property |
| Pc | 2321.90 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1595.83; 1600.00] |
|
|
| Inp | 1598.75 | NIST | |
| Inp | 1600.00 | NIST | |
| Inp | 1595.83 | NIST | |
| Tboil | 543.19 | K | Relay (1.0) Calculated Property |
| Tc | 763.62 | K | Relay (1.0) Calculated Property |
| Tfus | 321.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.629 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-phenyl-4-isopropyl-tetrahydro-1,4-oxazine.
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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