- InChI
- InChI=1S/C11H15NO2/c1-13-10-5-3-9(4-6-10)11-12-7-2-8-14-11/h3-6,11-12H,2,7-8H2,1H3
- InChI Key
- CATPMMKKMWYOSJ-UHFFFAOYSA-N
- Formula
- C11H15NO2
- SMILES
- COc1ccc(C2NCCCO2)cc1
- Molecular Weight1
- 193.24
- CAS
- 109086-77-3
- Other Names
-
- 2-(4'-Methoxyphenyl)perhydro-1,3-oxazine
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.5051 | Relay (1.0) Calculated Property | |
| ΔfG° | 65.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -213.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.704 | Crippen Calculated Property | |
| McVol | 152.950 | ml/mol | McGowan Calculated Property |
| Pc | 3250.43 | kPa | Joback Calculated Property |
| Tboil | 568.32 | K | Relay (1.0) Calculated Property |
| Tc | 790.63 | K | Relay (1.0) Calculated Property |
| Tfus | 348.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.548 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [390.17; 482.52] | J/mol×K | [600.21; 844.12] | 
|
| Cp,gas | 390.17 | J/mol×K | 600.21 | Joback Calculated Property |
| Cp,gas | 408.57 | J/mol×K | 640.86 | Joback Calculated Property |
| Cp,gas | 425.75 | J/mol×K | 681.51 | Joback Calculated Property |
| Cp,gas | 441.73 | J/mol×K | 722.16 | Joback Calculated Property |
| Cp,gas | 456.50 | J/mol×K | 762.81 | Joback Calculated Property |
| Cp,gas | 470.09 | J/mol×K | 803.47 | Joback Calculated Property |
| Cp,gas | 482.52 | J/mol×K | 844.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2H-1,3-Oxazine, tetrahydro-2-(4-methoxyphenyl)-.
Sources
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