- InChI
- InChI=1S/C9H18O2S/c1-3-4-5-7-11-9(10)6-8-12-2/h3-8H2,1-2H3
- InChI Key
- VSCXQPTWKZWPQB-UHFFFAOYSA-N
- Formula
- C9H18O2S
- SMILES
- CCCCCOC(=O)CCSC
- Molecular Weight1
- 190.30
- 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).
- I : 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° | -175.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -432.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.60 | kJ/mol | Joback Calculated Property |
| log10WS | -2.34 | Crippen Calculated Property | |
| logPoct/wat | 2.473 | Crippen Calculated Property | |
| McVol | 161.460 | ml/mol | McGowan Calculated Property |
| Pc | 2453.17 | kPa | Joback Calculated Property |
| I | 1858.00 | NIST | |
| Tboil | 550.39 | K | Joback Calculated Property |
| Tc | 742.14 | K | Joback Calculated Property |
| Tfus | 297.75 | K | Joback Calculated Property |
| Vc | 0.618 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [377.69; 451.55] | J/mol×K | [550.39; 742.14] | 
|
| Cp,gas | 377.69 | J/mol×K | 550.39 | Joback Calculated Property |
| Cp,gas | 391.47 | J/mol×K | 582.35 | Joback Calculated Property |
| Cp,gas | 404.66 | J/mol×K | 614.31 | Joback Calculated Property |
| Cp,gas | 417.26 | J/mol×K | 646.27 | Joback Calculated Property |
| Cp,gas | 429.28 | J/mol×K | 678.23 | Joback Calculated Property |
| Cp,gas | 440.71 | J/mol×K | 710.19 | Joback Calculated Property |
| Cp,gas | 451.55 | J/mol×K | 742.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to pentyl 3-(methylthio)propanoate.
Sources
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