|
Refractive_Index:
|
1.494
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Flash_Point:
|
108.0±17.1 °C
|
|
LogP:
|
3.71
|
|
Bolling_Point:
|
281.9±9.0 °C at 760 mmHg
|
|
PSA:
|
26.30000
|
|
Molecular_Structure:
|
['1. Molar refractive index 6069 ', '2. Molar volume 2086 ', '3. Parachor （902K）5049 ', '4. Surface tension 342 ', '5. Dielectric constant N/A ', '6. Polarizability 2406 ', '7. Single isotope mass 20613068 Da ', '8. Nominal mass 206 Da ', '9. Average mass 2062808 Da']
|
|
Computational_Chemistry:
|
['1 . XlogP 36 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 6 ', '5 . Isotope Atom Count ', '6 . TPSA 263 ', '7 . Heavy Atom Count 15 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 181 ', '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:
|
C13H18O2
|
|
Exact_Mass:
|
206.130676
|
|
FW:
|
206.281
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless to 微Yellow ，菊花Water 果香甜味and 玫瑰香气Liquid ', '2 . Density（g/mL,25℃）0974 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）268 ', '6 . Boiling point（ºC,8mmHg）Unknow ', '7 . Refractive index(n20/D)1485（lit） ', '8 . Flash point（ºC）＞110 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,83-85ºC）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 Unknow']
|
