- InChI
- InChI=1S/C4H8O2S/c1-4(5)6-2-3-7/h7H,2-3H2,1H3
- InChI Key
- YDLAHBBJAGGIJZ-UHFFFAOYSA-N
- Formula
- C4H8O2S
- SMILES
- CC(=O)OCCS
- Molecular Weight1
- 120.17
- CAS
- 5862-40-8
- Other Names
-
- 2-mercaptoethyl acetate
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.4617 | Relay (1.0) Calculated Property | |
| ΔfG° | -221.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -417.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.479 | Crippen Calculated Property | |
| McVol | 91.010 | ml/mol | McGowan Calculated Property |
| Pc | 4492.23 | kPa | Joback Calculated Property |
| Inp | [887.00; 887.00] |
|
|
| Inp | 887.00 | NIST | |
| Inp | 887.00 | NIST | |
| I | 1444.00 | NIST | |
| Tboil | 432.45 | K | Relay (1.0) Calculated Property |
| Tc | 640.77 | K | Relay (1.0) Calculated Property |
| Tfus | 203.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.322 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.85; 209.57] | J/mol×K | [430.07; 634.41] |
|
| Cp,gas | 166.85 | J/mol×K | 430.07 | Joback Calculated Property |
| Cp,gas | 174.67 | J/mol×K | 464.13 | Joback Calculated Property |
| Cp,gas | 182.21 | J/mol×K | 498.18 | Joback Calculated Property |
| Cp,gas | 189.48 | J/mol×K | 532.24 | Joback Calculated Property |
| Cp,gas | 196.47 | J/mol×K | 566.30 | Joback Calculated Property |
| Cp,gas | 203.17 | J/mol×K | 600.36 | Joback Calculated Property |
| Cp,gas | 209.57 | J/mol×K | 634.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, 2-mercaptoethyl ester.
Sources
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