|
MF:
|
C10H18O
|
|
Bolling_Point:
|
225.1±0.0 °C at 760 mmHg
|
|
Exact_Mass:
|
154.135757
|
|
More_Info:
|
['1 . Appearance White 晶体 ', '2 . Density（g/mL,25℃）0893 ', '3 . Melting point（ºC）47-50 ', '4 . Boiling point（ºC, 20mmHg）113-116 ', '5 . Refractive index1447 ', '6 . Flash point（ºC）96 ', '7 . Spontaneous ignition point or ignition temperature（ºC）: 440']
|
|
Melting_Point:
|
47-50 °C(lit.)
|
|
PSA:
|
17.07000
|
|
Flash_Point:
|
96.1±0.0 °C
|
|
Refractive_Index:
|
1.456
|
|
Density:
|
0.9±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4599 ', '2 . Molar volume 1691 ', '3 . Parachor （902K）4003 ', '4 . Surface tension 313 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1823']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 171 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :143 ', '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']
|
|
FW:
|
154.249
|
|
LogP:
|
2.48
|
|
Vapor_Pressure:
|
0.1±0.4 mmHg at 25°C
|
