|
LogP:
|
2.11
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|
MF:
|
C8H8FN
|
|
Water_Solubility:
|
17 g/L (15 ºC)
|
|
Bolling_Point:
|
207.5±29.0 °C at 760 mmHg
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|
Exact_Mass:
|
137.064072
|
|
More_Info:
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['1 . Appearance White or 微Yellow 结晶or Colourless to 淡Yellow 透明油状Liquid (28℃以上时)，在Atmosphere 中or 日光照射下被氧化颜色逐渐加深。有苯酚的气味，同时具有烟熏辛香药香肉香香气。 2 . Density（g/mL,25/4℃） 1129 3 . Relative vapor density（g/mL,Atmosphere =1）1112～1143 4 . Melting point（ºC） 27~29 ', '5 . Boiling point（ºC,Atmospheric pressure）205 ', '6 . Boiling point（ºC,32kPa） 107 7 . Refractive index(n35D) 15341 8 . Flash point（ºC） 822 ', '9 相对. Density（20℃，4℃）11076472 ', '10 相对. Density（25℃，4℃）1061480 ', '11 常温. Refractive index（n20）1531845 ', '12 常温. Refractive index（n25）1521366 ', '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 微Soluble in Water and 苯，易Soluble in 甘油，可以and Ethanol Ethyl ether 氯仿冰醋酸及大多数有机溶剂混溶。']
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|
Melting_Point:
|
26-29 °C(lit.)
|
|
Freezing_Point:
|
28℃
|
|
Flash_Point:
|
79.3±24.3 °C
|
|
Vapor_Density:
|
4.27 (vs air)
|
|
Refractive_Index:
|
1.538
|
|
Density:
|
1.2±0.1 g/cm3
|
|
Molecular_Structure:
|
['分子性质数据 ', '1 . Molar refractive index 3481 ', '2 . Molar volume 1118 ', '3 . Parachor （902K）2789 ', '4 . Surface tension 386 ', '5 . Polarizability 1380']
|
|
PSA:
|
29.46000
|
|
FW:
|
137.154
|
|
Computational_Chemistry:
|
['1 . XlogP 13 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 295 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 83 ', '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']
|
|
Vapor_Pressure:
|
0.2±0.4 mmHg at 25°C
|
