- InChI
- InChI=1S/C7H12O2S2/c1-2-9-6(8)7-10-4-3-5-11-7/h7H,2-5H2,1H3
- InChI Key
- ANEDZEVDORCLPM-UHFFFAOYSA-N
- Formula
- C7H12O2S2
- SMILES
- CCOC(=O)C1SCCCS1
- Molecular Weight1
- 192.30
- CAS
- 20462-00-4
- Other Names
-
- Carboethoxy-1,3-dithiane
- 2-Carboethoxy-1,3-dithiane
- 1,3-Dithiane-2-carboxylic 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 | 0.3653 | Relay (1.0) Calculated Property | |
| ΔfG° | -121.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -416.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.746 | Crippen Calculated Property | |
| McVol | 138.770 | ml/mol | McGowan Calculated Property |
| Pc | 3668.65 | kPa | Joback Calculated Property |
| Tboil | 541.45 | K | Relay (1.0) Calculated Property |
| Tc | 764.25 | K | Relay (1.0) Calculated Property |
| Tfus | 315.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.463 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.85; 385.36] | J/mol×K | [551.06; 792.65] | 
|
| Cp,gas | 309.85 | J/mol×K | 551.06 | Joback Calculated Property |
| Cp,gas | 324.68 | J/mol×K | 591.32 | Joback Calculated Property |
| Cp,gas | 338.59 | J/mol×K | 631.59 | Joback Calculated Property |
| Cp,gas | 351.60 | J/mol×K | 671.85 | Joback Calculated Property |
| Cp,gas | 363.72 | J/mol×K | 712.12 | Joback Calculated Property |
| Cp,gas | 374.97 | J/mol×K | 752.38 | Joback Calculated Property |
| Cp,gas | 385.36 | J/mol×K | 792.65 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 349.20 | K | 0.03 | NIST |
Similar Compounds
![2-Ethyl[1,3]dithiane.](data:image/png;base64,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)
Find more compounds similar to Ethyl 1,3-dithiane-2-carboxylate.
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