- InChI
- InChI=1S/C8H15BrO3S/c1-2-3-4-5-13(11,12)7-8(10)6-9/h2-7H2,1H3
- InChI Key
- PMMSTPZKUSQIAA-UHFFFAOYSA-N
- Formula
- C8H15BrO3S
- SMILES
- CCCCCS(=O)(=O)CC(=O)CBr
- Molecular Weight1
- 271.17
- CAS
- 116402-68-7
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -566.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -748.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.22 | kJ/mol | Joback Calculated Property |
| log10WS | -1.72 | Crippen Calculated Property | |
| logPoct/wat | 1.555 | Crippen Calculated Property | |
| McVol | 170.740 | ml/mol | McGowan Calculated Property |
| Pc | 3464.28 | kPa | Joback Calculated Property |
| Tboil | 550.25 | K | Joback Calculated Property |
| Tc | 736.09 | K | Joback Calculated Property |
| Tfus | 328.21 | K | Joback Calculated Property |
| Vc | 0.677 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.78; 441.25] | J/mol×K | [550.25; 736.09] | 
|
| Cp,gas | 375.78 | J/mol×K | 550.25 | Joback Calculated Property |
| Cp,gas | 388.19 | J/mol×K | 581.22 | Joback Calculated Property |
| Cp,gas | 399.99 | J/mol×K | 612.20 | Joback Calculated Property |
| Cp,gas | 411.19 | J/mol×K | 643.17 | Joback Calculated Property |
| Cp,gas | 421.80 | J/mol×K | 674.14 | Joback Calculated Property |
| Cp,gas | 431.81 | J/mol×K | 705.12 | Joback Calculated Property |
| Cp,gas | 441.25 | J/mol×K | 736.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-N-pentylsulfonyl-3-bromo-2-propanone.
Sources
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