- InChI
- InChI=1S/C10H20O2S/c1-3-5-6-9(4-2)7-12-10(11)8-13/h9,13H,3-8H2,1-2H3
- InChI Key
- OWHSTLLOZWTNTQ-UHFFFAOYSA-N
- Formula
- C10H20O2S
- SMILES
- CCCCC(CC)COC(=O)CS
- Molecular Weight1
- 204.34
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6421 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -554.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.05 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -3.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.676 | Crippen Calculated Property | |
| McVol | 175.550 | ml/mol | McGowan Calculated Property |
| Pc | 2265.42 | kPa | Joback Calculated Property |
| Tboil | 524.21 | K | Relay (1.0) Calculated Property |
| Tc | 717.00 | K | Relay (1.0) Calculated Property |
| Tfus | 203.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.611 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [254.43; 569.26] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.24160e+01 | |||
| Coefficient B | 9.32240e-01 | |||
| Coefficient C | -4.51200e-04 | |||
| Coefficient D | 5.58000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 254.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 308.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 356.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 400.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 439.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 474.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 504.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 529.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 551.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 569.26 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-ethylhexyl thioglycolate.
Mixtures
- Acetic acid, mercapto- + Water + 2-ethylhexyl thioglycolate
- 1-Hexanol, 2-ethyl- + Water + 2-ethylhexyl thioglycolate
- Water + 2-ethylhexyl thioglycolate
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Liquid-Liquid Equilibria for the Ternary Systems of Water + Thioglycolic Acid + 2-Ethyl-1-hexyl Thioglycolate and Water + 2-Ethyl-1-hexyl Thioglycolate + 2-Ethyl-1-hexanol at 293.15, 303.15, and 313.15 K under 101 kPa
- Joback Method
- McGowan Method
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