- InChI
- InChI=1S/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H3
- InChI Key
- PVBRSNZAOAJRKO-UHFFFAOYSA-N
- Formula
- C4H8O2S
- SMILES
- CCOC(=O)CS
- Molecular Weight1
- 120.17
- CAS
- 623-51-8
- Other Names
-
- Ethyl «alpha»-mercaptoacetate
- Ethyl mercaptoacetate
- Ethyl thioglycolate
- Ethyl thioglycollate
- Ethyl 2-mercaptoacetate
- Thioglycolic acid ethyl ester
- USAF EK-2070
- Mercaptoacetic acid ethyl ester
- Thioglykolsaeure-aethylester
- Acetic acid, 2-mercapto-, ethyl ester
- NSC 8834
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4517 | Relay (1.0) Calculated Property | |
| ΔfG° | -298.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -421.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.479 | Crippen Calculated Property | |
| McVol | 91.010 | ml/mol | McGowan Calculated Property |
| Pc | 4255.16 | kPa | Joback Calculated Property |
| Tboil | 430.20 | K | NIST |
| Tc | 651.85 | K | Relay (1.0) Calculated Property |
| Tfus | 216.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.324 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.71; 208.73] | J/mol×K | [412.20; 612.61] | 
|
| Cp,gas | 164.71 | J/mol×K | 412.20 | Joback Calculated Property |
| Cp,gas | 172.85 | J/mol×K | 445.60 | Joback Calculated Property |
| Cp,gas | 180.67 | J/mol×K | 479.00 | Joback Calculated Property |
| Cp,gas | 188.17 | J/mol×K | 512.40 | Joback Calculated Property |
| Cp,gas | 195.35 | J/mol×K | 545.80 | Joback Calculated Property |
| Cp,gas | 202.21 | J/mol×K | 579.21 | Joback Calculated Property |
| Cp,gas | 208.73 | J/mol×K | 612.61 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [327.20; 328.20] | K | [1.60; 2.30] |
|
| Tboilr | 327.20 | K | 1.60 | NIST |
| Tboilr | 328.20 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to Acetic acid, mercapto-, ethyl ester.
Sources
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