- InChI
- InChI=1S/C10H20O2S/c1-4-6-9(13-3)7-8-12-10(11)5-2/h9H,4-8H2,1-3H3
- InChI Key
- LRZFIJCVXUBBRY-UHFFFAOYSA-N
- Formula
- C10H20O2S
- SMILES
- CCCC(CCOC(=O)CC)SC
- Molecular Weight1
- 204.33
- 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° | -169.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -457.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.44 | kJ/mol | Joback Calculated Property |
| log10WS | -2.87 | Crippen Calculated Property | |
| logPoct/wat | 2.861 | Crippen Calculated Property | |
| McVol | 175.550 | ml/mol | McGowan Calculated Property |
| Pc | 2252.53 | kPa | Joback Calculated Property |
| I | [1958.00; 1958.00] |
|
|
| I | 1958.00 | NIST | |
| I | 1958.00 | NIST | |
| Tboil | 572.83 | K | Joback Calculated Property |
| Tc | 765.97 | K | Joback Calculated Property |
| Tfus | 294.02 | K | Joback Calculated Property |
| Vc | 0.667 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.88; 505.29] | J/mol×K | [572.83; 765.97] |
|
| Cp,gas | 425.88 | J/mol×K | 572.83 | Joback Calculated Property |
| Cp,gas | 440.79 | J/mol×K | 605.02 | Joback Calculated Property |
| Cp,gas | 455.03 | J/mol×K | 637.21 | Joback Calculated Property |
| Cp,gas | 468.59 | J/mol×K | 669.40 | Joback Calculated Property |
| Cp,gas | 481.49 | J/mol×K | 701.59 | Joback Calculated Property |
| Cp,gas | 493.72 | J/mol×K | 733.78 | Joback Calculated Property |
| Cp,gas | 505.29 | J/mol×K | 765.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to hexyl 3-(methylthio)propanoate.
Sources
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