- InChI
- InChI=1S/C10H11NO2/c1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)
- InChI Key
- PPIBJOQGAJBQDF-UHFFFAOYSA-N
- Formula
- C10H11NO2
- SMILES
- CC1NC(=O)OC1c1ccccc1
- Molecular Weight1
- 177.20
- CAS
- 77943-39-6
- Other Names
-
- (4R,5S)-4-Methyl-5-phenyl-2-oxazolidinone
- 4-Methyl-5-phenyl-1,3-oxazolidin-2-one-, (4R-cis)-
- 2-Oxazolidinone, 4-methyl-5-phenyl-, (4R-cis)-
- 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 | 0.4475 | Relay (1.0) Calculated Property | |
| ΔfG° | 53.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -273.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.856 | Crippen Calculated Property | |
| McVol | 134.560 | ml/mol | McGowan Calculated Property |
| Pc | 3677.55 | kPa | Joback Calculated Property |
| Tboil | 563.32 | K | Relay (1.0) Calculated Property |
| Tc | 797.22 | K | Relay (1.0) Calculated Property |
| Tfus | 342.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.495 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.01; 429.73] | J/mol×K | [608.81; 866.14] | 
|
| Cp,gas | 345.01 | J/mol×K | 608.81 | Joback Calculated Property |
| Cp,gas | 362.13 | J/mol×K | 651.70 | Joback Calculated Property |
| Cp,gas | 378.06 | J/mol×K | 694.59 | Joback Calculated Property |
| Cp,gas | 392.79 | J/mol×K | 737.48 | Joback Calculated Property |
| Cp,gas | 406.31 | J/mol×K | 780.36 | Joback Calculated Property |
| Cp,gas | 418.63 | J/mol×K | 823.25 | Joback Calculated Property |
| Cp,gas | 429.73 | J/mol×K | 866.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (4R,5S)-(+)-4-Methyl-5-phenyl-2-oxazolidinone.
Sources
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