- InChI
- InChI=1S/C6H12O3S/c1-3-4-10(8,9)5-6(2)7/h3-5H2,1-2H3
- InChI Key
- GIBVRWNWIPWWSI-UHFFFAOYSA-N
- Formula
- C6H12O3S
- SMILES
- CCCS(=O)(=O)CC(C)=O
- Molecular Weight1
- 164.22
- CAS
- 91313-63-2
- 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 | 0.5253 | Relay (1.0) Calculated Property | |
| ΔfG° | -597.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -587.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.400 | Crippen Calculated Property | |
| McVol | 125.060 | ml/mol | McGowan Calculated Property |
| Pc | 4026.13 | kPa | Joback Calculated Property |
| Tboil | 535.32 | K | Relay (1.0) Calculated Property |
| Tc | 731.47 | K | Relay (1.0) Calculated Property |
| Tfus | 340.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.436 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.06; 308.44] | J/mol×K | [438.33; 613.06] | 
|
| Cp,gas | 249.06 | J/mol×K | 438.33 | Joback Calculated Property |
| Cp,gas | 259.96 | J/mol×K | 467.45 | Joback Calculated Property |
| Cp,gas | 270.46 | J/mol×K | 496.57 | Joback Calculated Property |
| Cp,gas | 280.56 | J/mol×K | 525.70 | Joback Calculated Property |
| Cp,gas | 290.26 | J/mol×K | 554.82 | Joback Calculated Property |
| Cp,gas | 299.55 | J/mol×K | 583.94 | Joback Calculated Property |
| Cp,gas | 308.44 | J/mol×K | 613.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-propylsulfonyl-2-propanone.
Sources
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