- InChI
- InChI=1S/C5H10O2S/c1-2-7-5(6)3-4-8/h8H,2-4H2,1H3
- InChI Key
- CJQWLNNCQIHKHP-UHFFFAOYSA-N
- Formula
- C5H10O2S
- SMILES
- CCOC(=O)CCS
- Molecular Weight1
- 134.20
- CAS
- 5466-06-8
- Other Names
-
- Propionic acid, 3-mercapto-, ethyl ester
- Ethyl «beta»-mercaptopropionate
- Ethyl 3-mercaptopropionate
- 3-Mercaptopropanoic acid ethyl ester
- 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 | 0.4867 | Relay (1.0) Calculated Property | |
| ΔfG° | -213.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -431.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.869 | Crippen Calculated Property | |
| McVol | 105.100 | ml/mol | McGowan Calculated Property |
| Pc | 3965.51 | kPa | Joback Calculated Property |
| Tboil | 447.36 | K | Relay (1.0) Calculated Property |
| Tc | 654.78 | K | Relay (1.0) Calculated Property |
| Tfus | 209.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.376 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.20; 254.60] | J/mol×K | [452.95; 654.90] | 
|
| Cp,gas | 204.20 | J/mol×K | 452.95 | Joback Calculated Property |
| Cp,gas | 213.49 | J/mol×K | 486.61 | Joback Calculated Property |
| Cp,gas | 222.42 | J/mol×K | 520.27 | Joback Calculated Property |
| Cp,gas | 231.01 | J/mol×K | 553.93 | Joback Calculated Property |
| Cp,gas | 239.23 | J/mol×K | 587.58 | Joback Calculated Property |
| Cp,gas | 247.10 | J/mol×K | 621.24 | Joback Calculated Property |
| Cp,gas | 254.60 | J/mol×K | 654.90 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 348.70 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-mercapto-, ethyl ester.
Sources
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