|
FW:
|
142.152
|
|
MF:
|
C7H10O3
|
|
Water_Solubility:
|
0.5-1.0 g/100 mL at 20 ºC
|
|
Refractive_Index:
|
1.458
|
|
Vapor_Pressure:
|
0.6±0.3 mmHg at 25°C
|
|
Bolling_Point:
|
189.0±0.0 °C at 760 mmHg
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|
Exact_Mass:
|
142.062988
|
|
PSA:
|
38.83000
|
|
Computational_Chemistry:
|
['1. XlogP :08 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 388 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :162 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
Molecular_Structure:
|
['1 . Molar refractive index 3539 ', '2 . Molar volume 1297 ', '3 . Parachor （902K）3180 ', '4 . Surface tension 361 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1403']
|
|
LogP:
|
1.39
|
|
Melting_Point:
|
-52°C
|
|
Flash_Point:
|
76.1±0.0 °C
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1. Appearance Colourless 透明Liquid 。 ', '2相对. Density1042 ', '3. Melting point（ºC）-82 ', '4. Boiling point（ºC）189 ', '5. Boiling point（ºC, 133KPa）75 ', '6. Refractive index（20ºC）14492 ', '7. Flash point（ºC）76 ', '8 . Spontaneous ignition point or ignition temperature（ºC）389 ', '9 . Lower limit of explosion（%,V/V）11 ', '10. Solubility 可Soluble in 有机溶剂，Insoluble in Water 。']
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