|
Refractive_Index:
|
1.420
|
|
Vapor_Pressure:
|
0.6±0.3 mmHg at 25°C
|
|
Flash_Point:
|
75.7±18.5 °C
|
|
LogP:
|
1.60
|
|
Bolling_Point:
|
190.0±0.0 °C at 760 mmHg
|
|
PSA:
|
43.37000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4087 ', '2 . Molar volume 1615 ', '3 . Parachor （902K）3776 ', '4 . Surface tension 298 ', '5 . Polarizability 1620']
|
|
Computational_Chemistry:
|
['1. XlogP :13 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :5 ', '6. TPSA 434 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :151 ', '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']
|
|
MF:
|
C8H14O3
|
|
Exact_Mass:
|
158.094299
|
|
FW:
|
158.195
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['物性数据 1 . Density0981 ', '2 . Refractive index1421 ', '3 . Flash point>110°C ', '4 . Boiling point（ºC）198 ', '5 相对. Density（20℃，4℃）09810 ', '6 常温. Refractive index（n20）14225 ', '7 常温. Refractive index（n25）14214 ', '8 气相标准. Combustion heat(焓)(kJ·mol-1)-44892 ', '9 气相标准声称热(焓)( kJ·mol-1) -6597 ', '10液相标准. Combustion heat(焓)(kJ·mol-1)-44323 ', '11液相标准声称热(焓)( kJ·mol-1)-7166']
|
