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| CAS No.: | 4853-75-2 |
|---|---|
| Name: | ETHYL ISOPROPYL SULFONE |
| Molecular Structure: | |
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| Formula: | C5H12O2S |
| Molecular Weight: | 136.215 |
| Synonyms: | Sulfone,ethyl isopropyl (7CI,8CI);Ethyl isopropyl sulfone; |
| Density: | 1.028 g/cm3 |
| Boiling Point: | 236.728 °C at 760 mmHg |
| Flash Point: | 100.536 °C |
| PSA: | 42.52000 |
| LogP: | 1.91030 |
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Specification
The Propane, 2-(ethylsulfonyl)-, with the CAS registry number 4853-75-2, is also known as Ethyl isopropyl sulfone. This chemical's molecular formula is C5H12O2S and molecular weight is 136.21. What's more, its systematic name is 2-(Ethylsulfonyl)propane. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact with light.
Physical properties about Propane, 2-(ethylsulfonyl)- are: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31; (8)ACD/KOC (pH 7.4): 31; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 33.983 cm3; (15)Molar Volume: 132.478 cm3; (16)Polarizability: 13.472×10-24 cm3; (17)Surface Tension: 30.626 dyne/cm; (18)Density: 1.028 g/cm3; (19)Flash Point: 100.536 °C; (20)Enthalpy of Vaporization: 45.432 kJ/mol; (21)Boiling Point: 236.728 °C at 760 mmHg; (22)Vapour Pressure: 0.072 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)S(=O)(=O)CC
(2) InChI: InChI=1/C5H12O2S/c1-4-8(6,7)5(2)3/h5H,4H2,1-3H3
(3) InChIKey: RDKKQZIFDSEMNU-UHFFFAOYAV