- InChI
- InChI=1S/C4H10O3S/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3
- InChI Key
- NVJBFARDFTXOTO-UHFFFAOYSA-N
- Formula
- C4H10O3S
- SMILES
- CCOS(=O)OCC
- Molecular Weight1
- 138.19
- CAS
- 623-81-4
- Other Names
-
- (C2H5O)2SO
- Diethyl ester of sulfurous acid
- Diethyl sulfite
- Diethyl sulphite
- Ethyl sulfite
- Ethyl sulfite, (Et2SO3)
- NSC 8838
- Sulphurous acid diethyl ester
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -3004.80 ± 2.70 | kJ/mol | NIST |
| ΔfH°gas | -552.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -600.45 ± 0.88 | kJ/mol | NIST |
| ΔfusH° | 16.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [44.50; 49.00] | kJ/mol |
|
| ΔvapH° | 44.50 | kJ/mol | NIST |
| ΔvapH° | 49.00 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 49.00 ± 2.00 | kJ/mol | NIST |
| IE | 9.68 | eV | NIST |
| logPoct/wat | 0.638 | Crippen Calculated Property | |
| McVol | 101.180 | ml/mol | McGowan Calculated Property |
| Tboil | [429.00; 431.00] | K |
|
| Tboil | 430.00 ± 1.00 | K | NIST |
| Tboil | 431.00 ± 2.00 | K | NIST |
| Tboil | 431.00 ± 1.00 | K | NIST |
| Tboil | 429.00 ± 5.00 | K | NIST |
| Tboil | 430.85 ± 0.60 | K | NIST |
| Tboil | 430.00 ± 1.00 | K | NIST |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.02; 236.20] | J/mol×K | [394.24; 571.72] |
|
| Cp,gas | 189.02 | J/mol×K | 394.24 | Joback Calculated Property |
| Cp,gas | 197.25 | J/mol×K | 423.82 | Joback Calculated Property |
| Cp,gas | 205.36 | J/mol×K | 453.40 | Joback Calculated Property |
| Cp,gas | 213.32 | J/mol×K | 482.98 | Joback Calculated Property |
| Cp,gas | 221.13 | J/mol×K | 512.56 | Joback Calculated Property |
| Cp,gas | 228.76 | J/mol×K | 542.14 | Joback Calculated Property |
| Cp,gas | 236.20 | J/mol×K | 571.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sulfurous acid, diethyl ester.
Sources
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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