- InChI
- InChI=1S/C14H21NO/c1-12(2)10-15-8-9-16-14(11-15)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
- InChI Key
- NVQGZBNFGIADTH-UHFFFAOYSA-N
- Formula
- C14H21NO
- SMILES
- CC(C)CN1CCOC(c2ccccc2)C1
- Molecular Weight1
- 219.32
- 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 | 0.4598 | Relay (1.0) Calculated Property | |
| ΔfG° | 170.00 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -88.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 75.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.716 | Crippen Calculated Property | |
| McVol | 189.350 | ml/mol | McGowan Calculated Property |
| Pc | 2098.37 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1695.55; 1699.12] |
|
|
| Inp | 1699.12 | NIST | |
| Inp | 1698.64 | NIST | |
| Inp | 1695.55 | NIST | |
| Inp | 1699.12 | NIST | |
| Tboil | 553.89 | K | Relay (1.0) Calculated Property |
| Tc | 766.34 | K | Relay (1.0) Calculated Property |
| Tfus | 322.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.686 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-phenyl-4-isobutyl-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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