- 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).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.40; 310.60] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 7.66720e+01 | |||
| Coefficient B | 2.71430e-01 | |||
| Coefficient C | 8.11000e-05 | |||
| Coefficient D | -1.18600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 154.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 177.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 200.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 221.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 242.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 260.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 277.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 291.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 302.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 310.60 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.13; 100.22] | kPa | [283.00; 432.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48338e+01 | |||
| Coefficient B | -3.87376e+03 | |||
| Coefficient C | -5.32010e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 283.00 | |||
| Temperature range, max. | 432.00 | |||
| Pvap | 0.13 | kPa | 283.00 | Calculated Property |
| Pvap | 0.41 | kPa | 299.56 | Calculated Property |
| Pvap | 1.10 | kPa | 316.11 | Calculated Property |
| Pvap | 2.64 | kPa | 332.67 | Calculated Property |
| Pvap | 5.74 | kPa | 349.22 | Calculated Property |
| Pvap | 11.48 | kPa | 365.78 | Calculated Property |
| Pvap | 21.42 | kPa | 382.33 | Calculated Property |
| Pvap | 37.63 | kPa | 398.89 | Calculated Property |
| Pvap | 62.80 | kPa | 415.44 | Calculated Property |
| Pvap | 100.22 | kPa | 432.00 | 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
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