|
Refractive_Index:
|
1.408
|
|
Vapor_Pressure:
|
0.7±0.7 mmHg at 25°C
|
|
Flash_Point:
|
46.7±0.0 °C
|
|
LogP:
|
-0.02
|
|
Bolling_Point:
|
162.6±8.0 °C at 760 mmHg
|
|
Water_Solubility:
|
SOLUBLE
|
|
PSA:
|
29.46000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2845 ', '2 . Molar volume 1153 ', '3 . Parachor （902K）2648 ', '4 . Surface tension 278 ', '5 . Polarizability 1127']
|
|
Computational_Chemistry:
|
['1. XlogP :02 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 295 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :371 ', '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']
|
|
Melting_Point:
|
-85 °C
|
|
MF:
|
C5H12O2
|
|
Exact_Mass:
|
104.083733
|
|
FW:
|
104.148
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 透明体Liquid 。 ', '2 . Density（g/mL,20/20℃）0917 ', '3 . Relative vapor density（g/mL,Atmosphere =1）357 ', '4 . Melting point（ºC）-85 ', '5 . Boiling point（ºC,Atmospheric pressure）160 ', '6 . Refractive index（20ºC）14145 ', '7 . Flash point（ºC）46 ', '8 燃点（ºC）335 ', '9 . Vapor pressure（Pa,20ºC）012 ', '10 . Lower limit of explosion（%,V/V）19 ', '11 . Solubility Soluble in 大部分有机溶剂，微Soluble in Water 。']
|
