2-(METHYLSULFONYL)ETHANOL CAS15205-66-0

Details:

Density 1.33
Boiling point 148-149 °C(lit.)
Melting point 31-33 °C(lit.)
Molecular formula C3H8O3S
Molecular weight 124.15900
Flash point >230 °F
Accurate mass 124.01900
PSA 62.75000
LogP 0.10410
Apparent properties Transparent yellow liquid or low melting point solid
Vapor pressure 4.16E-06mmHg at 25°C
Refractive index 1.478-1.48
Storage condition
Room temperature closed light, ventilated and dry

stability
Stable at normal temperature and pressure

Materials to avoid: oxides
Molecular structure
V. Molecular Property Data:

1. Molar refractive index: 26.28

2, molar volume (m3/mol) : 96.5

3. Isotropic specific volume (90.2K) : 251.4

4. Surface tension (dyne/cm) : 45.9

5. Polarization (10-24cm3) : 10.41

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :-1.1

2. Number of hydrogen bond donors :1

3. Number of hydrogen bond receptors :3

4. Number of rotatable bonds :2

5. Number of tautomers: None

6. Topological molecular polar surface area 62.8

7. Number of heavy atoms :7

8. Surface charge :0

9. Complexity :118

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of indeterminate atomic orthotropic centers :0

13. Determine the number of chemical bond constitutive centers :0

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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