- InChI
- InChI=1S/C6H12OS/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
- InChI Key
- CLBGDLKFLYZLDQ-UHFFFAOYSA-N
- Formula
- C6H12OS
- SMILES
- CCCSC(=O)CC
- Molecular Weight1
- 132.22
- CAS
- 2432-43-1
- Other Names
-
- Propionic acid, thio-, S-propyl ester
- Propyl thiolpropionate
- Propyl thiopropionate
- S-propyl propanethioate
- 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° | -96.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.51 | kJ/mol | Joback Calculated Property |
| log10WS | -1.99 | Crippen Calculated Property | |
| logPoct/wat | 2.066 | Crippen Calculated Property | |
| McVol | 113.320 | ml/mol | McGowan Calculated Property |
| Pc | 3403.91 | kPa | Joback Calculated Property |
| Inp | 943.00 | NIST | |
| Tboil | 459.33 | K | Joback Calculated Property |
| Tc | 660.04 | K | Joback Calculated Property |
| Tfus | 241.71 | K | Joback Calculated Property |
| Vc | 0.431 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.40; 281.57] | J/mol×K | [459.33; 660.04] | 
|
| Cp,gas | 223.40 | J/mol×K | 459.33 | Joback Calculated Property |
| Cp,gas | 234.25 | J/mol×K | 492.78 | Joback Calculated Property |
| Cp,gas | 244.63 | J/mol×K | 526.23 | Joback Calculated Property |
| Cp,gas | 254.54 | J/mol×K | 559.69 | Joback Calculated Property |
| Cp,gas | 264.00 | J/mol×K | 593.14 | Joback Calculated Property |
| Cp,gas | 273.01 | J/mol×K | 626.59 | Joback Calculated Property |
| Cp,gas | 281.57 | J/mol×K | 660.04 | Joback Calculated Property |
Similar Compounds
![2-[Propylthio]ethanal.](data:image/png;base64,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)
Find more compounds similar to Propanethioic acid, S-propyl ester.
Sources
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