- InChI
- InChI=1S/C6H10O2S2/c1-2-8-5(7)6-9-3-4-10-6/h6H,2-4H2,1H3
- InChI Key
- OMCSHTHLIQOHDD-UHFFFAOYSA-N
- Formula
- C6H10O2S2
- SMILES
- CCOC(=O)C1SCCS1
- Molecular Weight1
- 178.27
- CAS
- 20461-99-8
- Other Names
-
- 2-Carboethoxydithiolane
- 2-Carboethoxy-1,3-dithiolane
- 1,3-Dithiolane-2-carboxylic acid, ethyl ester
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -118.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -260.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.99 | kJ/mol | Joback Calculated Property |
| log10WS | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.356 | Crippen Calculated Property | |
| McVol | 124.680 | ml/mol | McGowan Calculated Property |
| Pc | 4005.77 | kPa | Joback Calculated Property |
| Tboil | 523.91 | K | Joback Calculated Property |
| Tc | 761.34 | K | Joback Calculated Property |
| Tfus | 407.34 | K | Joback Calculated Property |
| Vc | 0.428 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.39; 330.95] | J/mol×K | [523.91; 761.34] | 
|
| Cp,gas | 265.39 | J/mol×K | 523.91 | Joback Calculated Property |
| Cp,gas | 278.19 | J/mol×K | 563.48 | Joback Calculated Property |
| Cp,gas | 290.21 | J/mol×K | 603.05 | Joback Calculated Property |
| Cp,gas | 301.48 | J/mol×K | 642.63 | Joback Calculated Property |
| Cp,gas | 312.01 | J/mol×K | 682.20 | Joback Calculated Property |
| Cp,gas | 321.83 | J/mol×K | 721.77 | Joback Calculated Property |
| Cp,gas | 330.95 | J/mol×K | 761.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 1,3-dithiolane-2-carboxylate.
Sources
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