- InChI
- InChI=1S/C7H14OS/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3
- InChI Key
- CGRFTVFWSJEHCI-UHFFFAOYSA-N
- Formula
- C7H14OS
- SMILES
- CCCCC(=O)SCC
- Molecular Weight1
- 146.25
- CAS
- 2432-92-0
- Other Names
-
- Valeric acid, thio-, S-ethyl ester
- S-ethyl pentanethioate
- 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 | 938.00 | 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
Find more compounds similar to Pentanethioic acid, S-ethyl ester.
Sources
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