|
MF:
|
C12H16O3
|
|
Bolling_Point:
|
276.0±0.0 °C at 760 mmHg
|
|
Exact_Mass:
|
208.109940
|
|
More_Info:
|
['1 . Appearance Colourless Liquid ，有时呈微Yellow ，具有类似于三叶草and 芝兰的香味。 ', '2 相对. Density(d204) 1047~1053（25℃） ', '3 . Boiling point（ºC,Atmospheric pressure）278 ', '4 . Boiling point（ºC,1995kPa）151~152 ', '5 . Refractive index（20ºC）1505~1508 ', '6 . Flash point（ºC）＞110 ', '7 . Solubility Soluble in Ethanol Ethyl ether ，Insoluble in Water and 甘油。']
|
|
PSA:
|
46.53000
|
|
Flash_Point:
|
109.9±12.6 °C
|
|
Refractive_Index:
|
1.520
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5839 ', '2 . Molar volume 1921 ', '3 . Parachor （902K）4836 ', '4 . Surface tension 401 ', '5 . Polarizability 2315']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :4 ', '6. TPSA 465 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :201 ', '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:
|
208.254
|
|
LogP:
|
4.18
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
