- InChI
- InChI=1S/C10H20O2S/c1-2-3-4-5-6-7-8-12-10(11)9-13/h13H,2-9H2,1H3
- InChI Key
- MADOXCFISYCULS-UHFFFAOYSA-N
- Formula
- C10H20O2S
- SMILES
- CCCCCCCCOC(=O)CS
- Molecular Weight1
- 204.33
- CAS
- 7664-80-4
- Other Names
-
- Acetic acid, mercapto-, octyl ester
- octyl mercaptoacetate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7018 | Relay (1.0) Calculated Property | |
| ΔfG° | -171.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -545.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.820 | Crippen Calculated Property | |
| McVol | 175.550 | ml/mol | McGowan Calculated Property |
| Pc | 2338.29 | kPa | Joback Calculated Property |
| Tboil | 529.97 | K | Relay (1.0) Calculated Property |
| Tc | 725.01 | K | Relay (1.0) Calculated Property |
| Tfus | 251.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.650 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.59; 500.07] | J/mol×K | [567.35; 756.90] | 
|
| Cp,gas | 422.59 | J/mol×K | 567.35 | Joback Calculated Property |
| Cp,gas | 437.09 | J/mol×K | 598.94 | Joback Calculated Property |
| Cp,gas | 450.94 | J/mol×K | 630.53 | Joback Calculated Property |
| Cp,gas | 464.15 | J/mol×K | 662.13 | Joback Calculated Property |
| Cp,gas | 476.74 | J/mol×K | 693.72 | Joback Calculated Property |
| Cp,gas | 488.71 | J/mol×K | 725.31 | Joback Calculated Property |
| Cp,gas | 500.07 | J/mol×K | 756.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octyl thioglycolate.
Sources
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