- InChI
- InChI=1S/C6H14O2S/c1-3-5-6-9(7,8)4-2/h3-6H2,1-2H3
- InChI Key
- PVSJGAIWOIMZFG-UHFFFAOYSA-N
- Formula
- C6H14O2S
- SMILES
- CCCCS(=O)(=O)CC
- Molecular Weight1
- 150.24
- CAS
- 31124-38-6
- Other Names
-
- Sulfone, butyl ethyl
- Butyl ethyl sulfone
- 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 | 0.4943 | Relay (1.0) Calculated Property | |
| ΔfG° | -468.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -471.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.221 | Crippen Calculated Property | |
| McVol | 123.490 | ml/mol | McGowan Calculated Property |
| Pc | 3722.56 | kPa | Joback Calculated Property |
| Tboil | 528.06 | K | Relay (1.0) Calculated Property |
| Tc | 694.11 | K | Relay (1.0) Calculated Property |
| Tfus | [321.00; 357.00] | K |
|
| Tfus | 357.00 ± 2.00 | K | NIST |
| Tfus | 323.00 ± 4.00 | K | NIST |
| Tfus | 321.00 ± 4.00 | K | NIST |
| Tfus | 322.20 ± 0.50 | K | NIST |
| Tfus | 324.00 ± 5.00 | K | NIST |
| Vc | 0.445 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.01; 291.65] | J/mol×K | [384.46; 547.33] |
|
| Cp,gas | 229.01 | J/mol×K | 384.46 | Joback Calculated Property |
| Cp,gas | 240.33 | J/mol×K | 411.61 | Joback Calculated Property |
| Cp,gas | 251.31 | J/mol×K | 438.75 | Joback Calculated Property |
| Cp,gas | 261.93 | J/mol×K | 465.90 | Joback Calculated Property |
| Cp,gas | 272.19 | J/mol×K | 493.04 | Joback Calculated Property |
| Cp,gas | 282.10 | J/mol×K | 520.19 | Joback Calculated Property |
| Cp,gas | 291.65 | J/mol×K | 547.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1-(ethylsulfonyl)-.
Sources
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