|
MF:
|
C12H16O
|
|
Bolling_Point:
|
301.6±21.0 °C at 760 mmHg
|
|
Exact_Mass:
|
176.120117
|
|
More_Info:
|
['1 . Appearance White or 类White Solid 。 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）130-135 ', '5 . Boiling point（ºC,Atmospheric pressure）213-215 ', '6 . Boiling point（ºC,4mm）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）58E-4 (25 C) ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 不能溶解于Water 的']
|
|
Melting_Point:
|
130-135°C
|
|
PSA:
|
20.23000
|
|
Flash_Point:
|
153.0±11.5 °C
|
|
Refractive_Index:
|
1.552
|
|
Density:
|
1.0±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5399 ', '2 . Molar volume （m3/mol）1690 ', '3 . Parachor （902K）4286 ', '4 . Surface tension : 413 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 2140']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 202 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :141 ', '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:
|
176.255
|
|
LogP:
|
4.00
|
|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
