|
Refractive_Index:
|
1.491
|
|
Vapor_Pressure:
|
0.0±1.4 mmHg at 25°C
|
|
Flash_Point:
|
156.7±19.7 °C
|
|
LogP:
|
1.47
|
|
Bolling_Point:
|
312.0±25.0 °C at 760 mmHg
|
|
Water_Solubility:
|
0.8 g/100 mL
|
|
FW:
|
200.232
|
|
PSA:
|
74.60000
|
|
Computational_Chemistry:
|
['1 . XlogP 26 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count ', '6 . TPSA 803 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area -2 ', '9 . Complexity 271 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 2 ', '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:
|
186-189 °C
|
|
MF:
|
C10H16O4
|
|
Exact_Mass:
|
200.104858
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 492 ', '2 . Molar volume （m3/mol）1700 ', '3 . Parachor （902K）4358 ', '4 . Surface tension 431 ', '5 . Polarizability 1950']
|
|
Density:
|
1.2±0.1 g/cm3
|
|
More_Info:
|
['1. Appearance White 结晶性粉末 ', '2. Melting point183-186℃ ', '3相对. Density1186 ', '4. Solubility 微Soluble in 冷Water ，Soluble in 热Water ， Ethanol ， Ethyl ether ，三氯甲烷and 甘油中，Insoluble in 氯仿 ', '5. Specific rotation+445°- +485°（20℃，589nm）（c=5， Ethanol ）']
|
