|
Refractive_Index:
|
1.435
|
|
Vapor_Pressure:
|
0.0±1.0 mmHg at 25°C
|
|
Flash_Point:
|
137.8±0.0 °C
|
|
LogP:
|
-0.49
|
|
Bolling_Point:
|
242.9±13.0 °C at 760 mmHg
|
|
PSA:
|
54.37000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2680 ', '2 . Molar volume 1028 ', '3 . Parachor （902K）2579 ', '4 . Surface tension 396 ', '5 . Polarizability 1062']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :3 ', '6. TPSA 544 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :106 ', '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:
|
30-33 °C(lit.)
|
|
MF:
|
C5H8O3
|
|
Exact_Mass:
|
116.047340
|
|
FW:
|
116.115
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1. Appearance White 片状or 叶状体结晶 ', '2 相对. Density（g/mL,20/4ºC）11335 ', '3 相对. Density（g/mL,25/4ºC）11447 ', '4. Refractive index（25ºC）14796 ', '5 . Refractive index（20ºC）14396 ', '6. Boiling point（ºC,1013kPa）245~246（dec） ', '7 . Flash point（ºC）138 ', '8. Melting point（ºC）33~35 ', '9 蒸发热（KJ/mol,1495ºC）6802 ', '10 熔融热（KJ/mol）923 11. Solubility 易Soluble in Water 醇醚类等有机溶剂。Insoluble in 汽油煤油四氯化碳等非极性有机溶剂。']
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