|
Refractive_Index:
|
1.411
|
|
Vapor_Pressure:
|
2.9±0.3 mmHg at 25°C
|
|
Flash_Point:
|
46.7±8.3 °C
|
|
LogP:
|
2.65
|
|
Bolling_Point:
|
156.3±8.0 °C at 760 mmHg
|
|
FW:
|
144.211
|
|
More_Info:
|
['一物性数据 ', '1 . Appearance Colourless Liquid ，有甜果香 ', '2 . Density（g/mL ,25/4℃）0802586 ', '3 . Refractive index（nD20）14031 ', '4 . Flash point（℃）34 ', '5 . Boiling point（ºC） 1557 ', '6 相对. Density（20℃，4℃）08017 ', '7 . Critical temperature（ºC）33585']
|
|
Computational_Chemistry:
|
['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :974 ', '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']
|
|
MF:
|
C8H16O2
|
|
Exact_Mass:
|
144.115036
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4084 ', '2 . Molar volume 1644 ', '3 . Parachor （902K）3725 ', '4 . Surface tension 263 ', '5 . Polarizability 1619']
|
|
Density:
|
0.9±0.1 g/cm3
|
|
PSA:
|
26.30000
|
