- InChI
- InChI=1S/C5H12O2S/c1-3-4-5-8(2,6)7/h3-5H2,1-2H3
- InChI Key
- QRXUXNUNFHPWLQ-UHFFFAOYSA-N
- Formula
- C5H12O2S
- SMILES
- CCCCS(C)(=O)=O
- Molecular Weight1
- 136.21
- CAS
- 7560-59-0
- Other Names
-
- Sulfone, butyl methyl
- Butyl methyl sulfone
- 1-(Methylsulphonyl)butane
- Butyl methyl sulphone
- ΔcH°liquid : Standard liquid 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°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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -3749.00 ± 0.67 | kJ/mol | NIST |
| ΔfG° | -477.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -459.70 ± 2.60 | kJ/mol | NIST |
| ΔfH°liquid | -535.84 ± 0.84 | kJ/mol | NIST |
| ΔfusH° | 20.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.00 ± 2.00 | kJ/mol | NIST |
| log10WS | -0.75 | Crippen Calculated Property | |
| logPoct/wat | 0.831 | Crippen Calculated Property | |
| McVol | 109.400 | ml/mol | McGowan Calculated Property |
| Pc | 4200.18 | kPa | Joback Calculated Property |
| Tboil | 361.58 | K | Joback Calculated Property |
| Tc | 524.57 | K | Joback Calculated Property |
| Tfus | [297.00; 303.00] | K |
|
| Tfus | 297.00 ± 1.00 | K | NIST |
| Tfus | 303.00 ± 3.00 | K | NIST |
| Tfus | 303.00 ± 2.00 | K | NIST |
| Vc | 0.442 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.29; 247.99] | J/mol×K | [361.58; 524.57] |
|
| Cp,gas | 192.29 | J/mol×K | 361.58 | Joback Calculated Property |
| Cp,gas | 202.32 | J/mol×K | 388.75 | Joback Calculated Property |
| Cp,gas | 212.05 | J/mol×K | 415.91 | Joback Calculated Property |
| Cp,gas | 221.49 | J/mol×K | 443.08 | Joback Calculated Property |
| Cp,gas | 230.62 | J/mol×K | 470.24 | Joback Calculated Property |
| Cp,gas | 239.46 | J/mol×K | 497.41 | Joback Calculated Property |
| Cp,gas | 247.99 | J/mol×K | 524.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1-(methylsulfonyl)-.
Sources
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