|
FW:
|
267.536
|
|
MF:
|
C10H9Cl3O2
|
|
Flash_Point:
|
145.1±25.5 °C
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|
Refractive_Index:
|
1.546
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Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Bolling_Point:
|
351.0±37.0 °C at 760 mmHg
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|
Exact_Mass:
|
265.966827
|
|
PSA:
|
26.30000
|
|
Computational_Chemistry:
|
['1. XlogP :35 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :219 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
Molecular_Structure:
|
['1 . Molar refractive index 6135 ', '2 . Molar volume 1936 ', '3 . Parachor （902K）4972 ', '4 . Surface tension 434 ', '5 . Polarizability 2432 ', '一用途 ', '香料，调制玫瑰香叶等香型香精，用于化妆品及皂用香精；也用作定香剂。制备或来源以苯甲醛及三氯甲烷为原料，在碱溶液中反应，生成α-（三氯甲烷）苄醇，再与乙酰氯或乙酐反应制得。']
|
|
LogP:
|
3.66
|
|
Melting_Point:
|
86-89 °C(lit.)
|
|
Density:
|
1.4±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless or White 结晶。有微弱的玫瑰香气。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC） 88-88 ', '5 . Boiling point（ºC,Atmospheric pressure） 280-282 ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC） 88℃ ', '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,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 Insoluble in Water ，Soluble in Ethanol 。']
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