- InChI
- InChI=1S/C5H12OS/c1-3-4-5-7(2)6/h3-5H2,1-2H3
- InChI Key
- QPKGDTBMWSPKDT-UHFFFAOYSA-N
- Formula
- C5H12OS
- SMILES
- CCCCS(C)=O
- Molecular Weight1
- 120.21
- CAS
- 2976-98-9
- Other Names
-
- Sulfoxide, butyl methyl
- Butyl methyl sulfoxide
- Methyl n-butyl sulfoxide
- ω : Acentric Factor.
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3763 | Relay (1.0) Calculated Property | |
| ΔfG° | -226.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -230.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.165 | Crippen Calculated Property | |
| McVol | 103.530 | ml/mol | McGowan Calculated Property |
| Pc | 3848.31 | kPa | Joback Calculated Property |
| Tboil | 485.59 | K | Relay (1.0) Calculated Property |
| Tc | 687.50 | K | Relay (1.0) Calculated Property |
| Tfus | 298.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.379 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.25; 236.69] | J/mol×K | [372.08; 548.09] | 
|
| Cp,gas | 181.25 | J/mol×K | 372.08 | Joback Calculated Property |
| Cp,gas | 191.31 | J/mol×K | 401.41 | Joback Calculated Property |
| Cp,gas | 201.04 | J/mol×K | 430.75 | Joback Calculated Property |
| Cp,gas | 210.45 | J/mol×K | 460.08 | Joback Calculated Property |
| Cp,gas | 219.52 | J/mol×K | 489.42 | Joback Calculated Property |
| Cp,gas | 228.27 | J/mol×K | 518.75 | Joback Calculated Property |
| Cp,gas | 236.69 | J/mol×K | 548.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1-(methylsulfinyl)-.
Sources
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