|
Molecular_Structure:
|
['1. Molar refractive index 624 ', '2. Molar volume 2002 ', '3. Parachor （902K）4914 ', '4. Surface tension 362 ', '5. Dielectric constant N/A ', '6. Polarizability 2474 ', '7. Single isotope mass 20411503 Da ', '8. Nominal mass 204 Da ', '9. Average mass 2042649 Da']
|
|
LogP:
|
3.59
|
|
Flash_Point:
|
157.2±9.9 °C
|
|
Refractive_Index:
|
1.536
|
|
FW:
|
204.265
|
|
Density:
|
1.0±0.1 g/cm3
|
|
Bolling_Point:
|
296.7±9.0 °C at 760 mmHg
|
|
Computational_Chemistry:
|
['1 . XlogP 4 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count ', '6 . TPSA 263 ', '7 . Heavy Atom Count 15 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 213 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 1 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
|
|
PSA:
|
26.30000
|
|
MF:
|
C13H16O2
|
|
More_Info:
|
['1 . Appearance Colourless 油状Liquid 。呈芳甜果香and 油脂味 ', '2 . Density（g/mLat 25°C）1 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,760mmHg）287 ', '7 . Refractive indexn 20/D 154(lit) ', '8 . Flash point（ºC）113 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（hPa,377ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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 混Soluble in Ethanol Ethyl ether 氯仿and 大多数非挥发性油，微Soluble in 丙二醇，Insoluble in Water 。']
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Exact_Mass:
|
204.115036
|
