- InChI
- InChI=1S/C7H14OS/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3
- InChI Key
- HLCLUPSPANPNHH-UHFFFAOYSA-N
- Formula
- C7H14OS
- SMILES
- CCCCSC(=O)CC
- Molecular Weight1
- 146.25
- CAS
- 2432-44-2
- Other Names
-
- Propionic acid, thio-, S-sec-butyl ester
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -87.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.74 | kJ/mol | Joback Calculated Property |
| log10WS | -2.41 | Crippen Calculated Property | |
| logPoct/wat | 2.456 | Crippen Calculated Property | |
| McVol | 127.410 | ml/mol | McGowan Calculated Property |
| Pc | 3052.41 | kPa | Joback Calculated Property |
| Inp | [1043.00; 1043.00] |
|
|
| Inp | 1043.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Tboil | 482.21 | K | Joback Calculated Property |
| Tc | 680.42 | K | Joback Calculated Property |
| Tfus | 252.98 | K | Joback Calculated Property |
| Vc | 0.487 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [264.46; 328.87] | J/mol×K | [482.21; 680.42] |
|
| Cp,gas | 264.46 | J/mol×K | 482.21 | Joback Calculated Property |
| Cp,gas | 276.49 | J/mol×K | 515.24 | Joback Calculated Property |
| Cp,gas | 288.00 | J/mol×K | 548.28 | Joback Calculated Property |
| Cp,gas | 298.98 | J/mol×K | 581.31 | Joback Calculated Property |
| Cp,gas | 309.45 | J/mol×K | 614.35 | Joback Calculated Property |
| Cp,gas | 319.41 | J/mol×K | 647.38 | Joback Calculated Property |
| Cp,gas | 328.87 | J/mol×K | 680.42 | Joback Calculated Property |
Similar Compounds
![2-[Butylthio]ethanal.](data:image/png;base64,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)
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