|
FW:
|
134.175
|
|
MF:
|
C9H10O
|
|
Refractive_Index:
|
1.548
|
|
More_Info:
|
['1 . Appearance Solid ', '2 . Density（g/mLat 20°C）102 ', '3 相对. Density（20℃，4℃）1021617 ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）209 ', '6 常温. Refractive index（n25）1537023 ', '7 . Refractive index（n20/D）1542517 ', '8 . Flash point（ºC）>110 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,37ºC）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 Unknow']
|
|
Vapor_Pressure:
|
0.2±0.4 mmHg at 25°C
|
|
Bolling_Point:
|
209.7±9.0 °C at 760 mmHg
|
|
Exact_Mass:
|
134.073166
|
|
PSA:
|
17.07000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 171 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :109 ', '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']
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|
Molecular_Structure:
|
['分子性质数据 ', '1 . Molar refractive index 4255 ', '2 . Molar volume 1339 ', '3 . Parachor （902K）3289 ', '4 . Surface tension 363 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1687']
|
|
LogP:
|
2.63
|
|
Flash_Point:
|
84.8±4.9 °C
|
|
Density:
|
1.0±0.1 g/cm3
|
