- InChI
- InChI=1S/C6H10O2S/c1-3-8-6(7)4-5-9-2/h4-5H,3H2,1-2H3/b5-4+
- InChI Key
- DNNJFSSUXIAKAI-SNAWJCMRSA-N
- Formula
- C6H10O2S
- SMILES
- CCOC(=O)C=CSC
- Molecular Weight1
- 146.21
- CAS
- 136115-65-6
- Other Names
-
- (E)-2-Propenoic acid, 3-methylthio-, ethyl ester
- Ethyl 3-(methylthio)-2-propenoate, (E)
- 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 | 0.3984 | Relay (... Calculated Property | |
| ΔfG° | -120.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.93 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.54 | kJ/mol | Relay (... Calculated Property |
| IE | 8.48 | eV | Relay (... Calculated Property |
| log10WS | -1.68 | Relay (... Calculated Property | |
| logPoct/wat | 1.426 | Crippen Calculated Property | |
| McVol | 114.890 | ml/mol | McGowan Calculated Property |
| Pc | 3547.31 | kPa | Joback Calculated Property |
| Inp | [1143.00; 1144.00] |
|
|
| Inp | 1143.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1144.00 | NIST | |
| I | [1719.00; 1733.00] |
|
|
| I | 1733.00 | NIST | |
| I | 1719.00 | NIST | |
| I | 1733.00 | NIST | |
| Tboil | 468.74 | K | Relay (... Calculated Property |
| Tc | 635.91 | K | Relay (... Calculated Property |
| Tfus | 249.30 | K | Relay (... Calculated Property |
| Vc | 0.398 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.96; 281.98] | J/mol×K | [485.91; 694.93] |
|
| Cp,gas | 227.96 | J/mol×K | 485.91 | Joback Calculated Property |
| Cp,gas | 238.11 | J/mol×K | 520.75 | Joback Calculated Property |
| Cp,gas | 247.80 | J/mol×K | 555.58 | Joback Calculated Property |
| Cp,gas | 257.02 | J/mol×K | 590.42 | Joback Calculated Property |
| Cp,gas | 265.79 | J/mol×K | 625.25 | Joback Calculated Property |
| Cp,gas | 274.11 | J/mol×K | 660.09 | Joback Calculated Property |
| Cp,gas | 281.98 | J/mol×K | 694.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 3-(methylthio)-(E)-2-propenoate.
Sources
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