|
Refractive_Index:
|
1.563
|
|
Flash_Point:
|
41 °C
|
|
LogP:
|
0.93
|
|
Bolling_Point:
|
116 °C
|
|
Water_Solubility:
|
soluble
|
|
PSA:
|
62.75000
|
|
Molecular_Structure:
|
['1. Molar refractive index 4172 ', '2. Molar volume 1284 ', '3. Parachor （902K）3385 ', '4. Surface tension 482 ', '5. Dielectric constant N/A ', '6. Polarizability 1654 ', '7. Single isotope mass 172019414 Da ', '8. Nominal mass 172 Da ', '9. Average mass 1722016 Da']
|
|
Computational_Chemistry:
|
['1 . XlogP 17 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 544 ', '7 . Heavy Atom Count 11 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 206 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
Melting_Point:
|
106~107℃
|
|
MF:
|
C7H8O3S
|
|
Exact_Mass:
|
172.019409
|
|
FW:
|
172.202
|
|
Density:
|
1.3±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 单斜片状or 柱状醋酸气味晶体 ', '2 . Density（g/mL,20℃）107 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）106-107 ', '5 . Boiling point（ºC,Atmospheric pressure）116 ', '6 . Boiling point（ºC,50mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）41 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）14 ', '12 . Saturated vapor pressure（kPa,25ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 易Soluble in Ethanol and Ethyl ether ，稍Soluble in Water and 热苯。']
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