- InChI
- InChI=1S/C6H11NO2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m0/s1
- InChI Key
- YBUPWRYTXGAWJX-YFKPBYRVSA-N
- Formula
- C6H11NO2
- SMILES
- CC(C)C1COC(O)=N1
- Molecular Weight1
- 129.16
- CAS
- 17016-83-0
- Other Names
-
- (4S)-4-Isopropyl-2-oxazolidinone
- (4S)-(-)-Isopropyl-2-oxazolidinone
- 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 | 0.5422 | Relay (... Calculated Property | |
| ΔfG° | -52.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -414.95 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 19.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.23 | kJ/mol | Relay (... Calculated Property |
| IE | 9.86 | eV | Relay (... Calculated Property |
| log10WS | -0.94 | Relay (... Calculated Property | |
| logPoct/wat | 0.955 | Crippen Calculated Property | |
| McVol | 101.960 | ml/mol | McGowan Calculated Property |
| Pc | 4438.52 | kPa | Joback Calculated Property |
| Tboil | 497.73 | K | Relay (... Calculated Property |
| Tc | 716.04 | K | Relay (... Calculated Property |
| Tfus | 335.74 | K | Relay (... Calculated Property |
| Vc | 0.361 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.34; 319.87] | J/mol×K | [528.49; 732.67] | 
|
| Cp,gas | 256.34 | J/mol×K | 528.49 | Joback Calculated Property |
| Cp,gas | 268.44 | J/mol×K | 562.52 | Joback Calculated Property |
| Cp,gas | 279.93 | J/mol×K | 596.55 | Joback Calculated Property |
| Cp,gas | 290.81 | J/mol×K | 630.58 | Joback Calculated Property |
| Cp,gas | 301.09 | J/mol×K | 664.61 | Joback Calculated Property |
| Cp,gas | 310.78 | J/mol×K | 698.64 | Joback Calculated Property |
| Cp,gas | 319.87 | J/mol×K | 732.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-(+)-4-Isopropyl-2-oxazolidinone.
Sources
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