- InChI
- InChI=1S/C8H18O2S/c1-7(2)5-11(9,10)6-8(3)4/h7-8H,5-6H2,1-4H3
- InChI Key
- ULSLZZKKTPQNNJ-UHFFFAOYSA-N
- Formula
- C8H18O2S
- SMILES
- CC(C)CS(=O)(=O)CC(C)C
- Molecular Weight1
- 178.30
- CAS
- 10495-45-1
- Other Names
-
- (iso-C4H9)2SO2
- 1,1'-Sulphonylbis(2-methyl-propane)
- Diisobutyl sulfone
- Diisobutyl sulphone
- Isobutyl sulfone
- Propane, 1,1'-sulfonylbis*2-methyl-
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -5697.69 ± 0.59 | kJ/mol | NIST |
| ΔfH°gas | -535.60 ± 2.60 | kJ/mol | NIST |
| ΔfH°liquid | -625.17 ± 0.84 | kJ/mol | NIST |
| ΔfusH° | 20.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.00 ± 3.00 | kJ/mol | NIST |
| IE | 9.54 ± 0.05 | eV | NIST |
| logPoct/wat | 1.713 | Crippen Calculated Property | |
| McVol | 151.670 | ml/mol | McGowan Calculated Property |
| Tboil | [374.00; 538.00] | K |
|
| Tboil | 538.00 | K | NIST |
| Tboil | 374.00 ± 3.00 | K | NIST |
| Tfus | [290.00; 290.10] | K |
|
| Tfus | 290.00 | K | NIST |
| Tfus | 290.10 ± 0.60 | K | NIST |
Cheméo can also estimate 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 | [309.59; 387.85] | J/mol×K | [429.34; 598.32] |
|
| Cp,gas | 309.59 | J/mol×K | 429.34 | Joback Calculated Property |
| Cp,gas | 323.91 | J/mol×K | 457.50 | Joback Calculated Property |
| Cp,gas | 337.72 | J/mol×K | 485.67 | Joback Calculated Property |
| Cp,gas | 351.02 | J/mol×K | 513.83 | Joback Calculated Property |
| Cp,gas | 363.80 | J/mol×K | 541.99 | Joback Calculated Property |
| Cp,gas | 376.08 | J/mol×K | 570.15 | Joback Calculated Property |
| Cp,gas | 387.85 | J/mol×K | 598.32 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [405.52; 570.30] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49079e+01 | |||
| Coefficient B | -4.60194e+03 | |||
| Coefficient C | -9.07560e+01 | |||
| Temperature range, min. | 405.52 | |||
| Temperature range, max. | 570.30 | |||
| Pvap | 1.33 | kPa | 405.52 | Calculated Property |
| Pvap | 2.98 | kPa | 423.83 | Calculated Property |
| Pvap | 6.12 | kPa | 442.14 | Calculated Property |
| Pvap | 11.70 | kPa | 460.45 | Calculated Property |
| Pvap | 21.06 | kPa | 478.76 | Calculated Property |
| Pvap | 35.93 | kPa | 497.06 | Calculated Property |
| Pvap | 58.56 | kPa | 515.37 | Calculated Property |
| Pvap | 91.65 | kPa | 533.68 | Calculated Property |
| Pvap | 138.44 | kPa | 551.99 | Calculated Property |
| Pvap | 202.63 | kPa | 570.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,1'-sulfonylbis[2-methyl-.
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
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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. Take the time to validate and double check the source of the data.