- InChI
- InChI=1S/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3
- InChI Key
- MJQWABQELVFQJL-UHFFFAOYSA-N
- Formula
- C4H10OS
- SMILES
- CC(O)C(C)S
- Molecular Weight1
- 106.19
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5310 | Relay (1.0) Calculated Property | |
| ΔfG° | -129.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.685 | Crippen Calculated Property | |
| McVol | 89.440 | ml/mol | McGowan Calculated Property |
| Pc | 4890.21 | kPa | Joback Calculated Property |
| Inp | 941.00 | NIST | |
| Tboil | 438.81 | K | Relay (1.0) Calculated Property |
| Tc | 634.05 | K | Relay (1.0) Calculated Property |
| Tfus | 242.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.316 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [122.99; 270.81] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.60700e+01 | |||
| Coefficient B | 4.56940e-01 | |||
| Coefficient C | -2.53000e-04 | |||
| Coefficient D | 5.08000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 122.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 148.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 171.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 191.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 209.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 225.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 239.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 251.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 261.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 270.81 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-hydroxy-2-thiabutane.
Sources
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