- InChI
- InChI=1S/C8H18O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3
- InChI Key
- AIDFJGKWTOULTC-UHFFFAOYSA-N
- Formula
- C8H18O2S
- SMILES
- CCCCS(=O)(=O)CCCC
- Molecular Weight1
- 178.29
- CAS
- 598-04-9
- Other Names
-
- 1,1'-SULPHONYLBISBUTANE
- 1-(Butylsulfonyl)butane
- Butyl sulfone
- DIBUTYL SULFONE
- Di-n-butyl sulfone
- Dibutyl sulphone
- NSC 2116
- n-Butyl sulfone
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (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 |
|---|---|---|---|
| ΔcH°solid | -5712.70 ± 1.90 | kJ/mol | NIST |
| ΔfG° | -452.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -509.80 ± 3.20 | kJ/mol | NIST |
| ΔfH°solid | -610.20 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 27.85 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 100.00 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 52.04 | kJ/mol | Joback Calculated Property |
| log10WS | -2.00 | Crippen Calculated Property | |
| logPoct/wat | 2.001 | Crippen Calculated Property | |
| McVol | 151.670 | ml/mol | McGowan Calculated Property |
| Pc | 2982.79 | kPa | Joback Calculated Property |
| Tboil | 430.22 | K | Joback Calculated Property |
| Tc | 592.13 | K | Joback Calculated Property |
| Tfus | 218.48 | K | Joback Calculated Property |
| Vc | 0.610 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.58; 384.11] | J/mol×K | [430.22; 592.13] | 
|
| Cp,gas | 309.58 | J/mol×K | 430.22 | Joback Calculated Property |
| Cp,gas | 323.15 | J/mol×K | 457.20 | Joback Calculated Property |
| Cp,gas | 336.26 | J/mol×K | 484.19 | Joback Calculated Property |
| Cp,gas | 348.90 | J/mol×K | 511.17 | Joback Calculated Property |
| Cp,gas | 361.09 | J/mol×K | 538.16 | Joback Calculated Property |
| Cp,gas | 372.83 | J/mol×K | 565.14 | Joback Calculated Property |
| Cp,gas | 384.11 | J/mol×K | 592.13 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [426.20; 624.10] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.36446e+01 | |||
| Coefficient B | -4.38453e+03 | |||
| Coefficient C | -9.79420e+01 | |||
| Temperature range, min. | 426.20 | |||
| Temperature range, max. | 624.10 | |||
| Pvap | 1.33 | kPa | 426.20 | Calculated Property |
| Pvap | 3.08 | kPa | 448.19 | Calculated Property |
| Pvap | 6.46 | kPa | 470.18 | Calculated Property |
| Pvap | 12.46 | kPa | 492.17 | Calculated Property |
| Pvap | 22.43 | kPa | 514.16 | Calculated Property |
| Pvap | 38.05 | kPa | 536.14 | Calculated Property |
| Pvap | 61.37 | kPa | 558.13 | Calculated Property |
| Pvap | 94.77 | kPa | 580.12 | Calculated Property |
| Pvap | 140.90 | kPa | 602.11 | Calculated Property |
| Pvap | 202.65 | kPa | 624.10 | Calculated Property |
| Pvap | [8.74e-04; 2497.45] | kPa | [318.00; 767.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.17265e+02 | |||
| Coefficient B | -1.37461e+04 | |||
| Coefficient C | -1.41440e+01 | |||
| Coefficient D | 4.13287e-06 | |||
| Temperature range, min. | 318.00 | |||
| Temperature range, max. | 767.00 | |||
| Pvap | 8.74e-04 | kPa | 318.00 | Calculated Property |
| Pvap | 0.05 | kPa | 367.89 | Calculated Property |
| Pvap | 0.76 | kPa | 417.78 | Calculated Property |
| Pvap | 6.18 | kPa | 467.67 | Calculated Property |
| Pvap | 30.72 | kPa | 517.56 | Calculated Property |
| Pvap | 107.99 | kPa | 567.44 | Calculated Property |
| Pvap | 296.52 | kPa | 617.33 | Calculated Property |
| Pvap | 680.40 | kPa | 667.22 | Calculated Property |
| Pvap | 1368.52 | kPa | 717.11 | Calculated Property |
| Pvap | 2497.45 | kPa | 767.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1,1'-sulfonylbis-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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