- InChI
- InChI=1S/C6H11NOS/c1-4(2)5-3-8-6(9)7-5/h4-5H,3H2,1-2H3,(H,7,9)/t5-/m0/s1
- InChI Key
- CIRDXQWBLPPFPN-YFKPBYRVSA-N
- Formula
- C6H11NOS
- SMILES
- CC(C)C1COC(S)=N1
- Molecular Weight1
- 145.22
- CAS
- 84272-19-5
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 114.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -88.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.23 | kJ/mol | Joback Calculated Property |
| log10WS | -1.41 | Crippen Calculated Property | |
| logPoct/wat | 1.327 | Crippen Calculated Property | |
| McVol | 112.440 | ml/mol | McGowan Calculated Property |
| Pc | 4277.45 | kPa | Joback Calculated Property |
| Tboil | 499.17 | K | Joback Calculated Property |
| Tc | 742.36 | K | Joback Calculated Property |
| Tfus | 301.13 | K | Joback Calculated Property |
| Vc | 0.416 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [253.15; 329.67] | J/mol×K | [499.17; 742.36] | 
|
| Cp,gas | 253.15 | J/mol×K | 499.17 | Joback Calculated Property |
| Cp,gas | 268.05 | J/mol×K | 539.70 | Joback Calculated Property |
| Cp,gas | 282.08 | J/mol×K | 580.23 | Joback Calculated Property |
| Cp,gas | 295.25 | J/mol×K | 620.77 | Joback Calculated Property |
| Cp,gas | 307.57 | J/mol×K | 661.30 | Joback Calculated Property |
| Cp,gas | 319.04 | J/mol×K | 701.83 | Joback Calculated Property |
| Cp,gas | 329.67 | J/mol×K | 742.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (4S)-(-)-4-Isopropyl-1,3-oxazolidine-2-thione.
Sources
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