- InChI
- InChI=1S/C10H13NO/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10-11H,4,7-8H2
- InChI Key
- TVHBYFZBZQWTFS-UHFFFAOYSA-N
- Formula
- C10H13NO
- SMILES
- c1ccc(C2NCCCO2)cc1
- Molecular Weight1
- 163.22
- CAS
- 17762-72-0
- Other Names
-
- 1,3-Oxazine, tetrahydro-2-phenyl-
- 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 | 0.3755 | Relay (1.0) Calculated Property | |
| ΔfG° | 171.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -52.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.695 | Crippen Calculated Property | |
| McVol | 132.990 | ml/mol | McGowan Calculated Property |
| Pc | 3782.33 | kPa | Joback Calculated Property |
| Tboil | 517.83 | K | Relay (1.0) Calculated Property |
| Tc | 757.30 | K | Relay (1.0) Calculated Property |
| Tfus | 324.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.475 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.92; 408.41] | J/mol×K | [549.93; 802.09] | 
|
| Cp,gas | 315.92 | J/mol×K | 549.93 | Joback Calculated Property |
| Cp,gas | 334.52 | J/mol×K | 591.96 | Joback Calculated Property |
| Cp,gas | 351.79 | J/mol×K | 633.98 | Joback Calculated Property |
| Cp,gas | 367.77 | J/mol×K | 676.01 | Joback Calculated Property |
| Cp,gas | 382.50 | J/mol×K | 718.04 | Joback Calculated Property |
| Cp,gas | 396.03 | J/mol×K | 760.07 | Joback Calculated Property |
| Cp,gas | 408.41 | J/mol×K | 802.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2H-1,3-Oxazine, tetrahydro-2-phenyl-.
Sources
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