- InChI
- InChI=1S/C8H18O3S/c1-7(2)5-10-12(9)11-6-8(3)4/h7-8H,5-6H2,1-4H3
- InChI Key
- SYKANJDVMZPZMM-UHFFFAOYSA-N
- Formula
- C8H18O3S
- SMILES
- CC(C)COS(=O)OCC(C)C
- Molecular Weight1
- 194.30
- CAS
- 18748-27-1
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | -651.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.910 | Crippen Calculated Property | |
| McVol | 157.540 | ml/mol | McGowan Calculated Property |
| Tboil | 491.49 | K | Relay (1.0) Calculated Property |
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 | [349.38; 426.20] | J/mol×K | [484.68; 664.52] | 
|
| Cp,gas | 349.38 | J/mol×K | 484.68 | Joback Calculated Property |
| Cp,gas | 363.36 | J/mol×K | 514.65 | Joback Calculated Property |
| Cp,gas | 376.89 | J/mol×K | 544.63 | Joback Calculated Property |
| Cp,gas | 389.95 | J/mol×K | 574.60 | Joback Calculated Property |
| Cp,gas | 402.53 | J/mol×K | 604.57 | Joback Calculated Property |
| Cp,gas | 414.61 | J/mol×K | 634.55 | Joback Calculated Property |
| Cp,gas | 426.20 | J/mol×K | 664.52 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [345.52; 562.51] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.15641e+01 | |||
| Coefficient B | -3.04526e+03 | |||
| Coefficient C | -7.54660e+01 | |||
| Temperature range, min. | 345.52 | |||
| Temperature range, max. | 562.51 | |||
| Pvap | 1.33 | kPa | 345.52 | Calculated Property |
| Pvap | 3.36 | kPa | 369.63 | Calculated Property |
| Pvap | 7.36 | kPa | 393.74 | Calculated Property |
| Pvap | 14.44 | kPa | 417.85 | Calculated Property |
| Pvap | 25.92 | kPa | 441.96 | Calculated Property |
| Pvap | 43.28 | kPa | 466.07 | Calculated Property |
| Pvap | 68.10 | kPa | 490.18 | Calculated Property |
| Pvap | 101.95 | kPa | 514.29 | Calculated Property |
| Pvap | 146.34 | kPa | 538.40 | Calculated Property |
| Pvap | 202.66 | kPa | 562.51 | Calculated Property |
Similar Compounds
Find more compounds similar to Diisobutyl sulfite.
Sources
- Cheméo Relay (1.0)
- 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
- McGowan Method
- The Yaws Handbook of Vapor Pressure
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