|
Molecular_Structure:
|
['1. Molar refractive index 3478 ', '2. Molar volume 1286 ', '3. Parachor （902K）2939 ', '4. Surface tension 272 ', '5. Dielectric constant N/A ', '6. Polarizability 1378 ', '7. Single isotope mass 110073165Da ', '8. Nominal mass 110Da ', '9. Average mass 1101537Da']
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|
Flash_Point:
|
65.6±0.0 °C
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|
Refractive_Index:
|
1.453
|
|
FW:
|
110.154
|
|
Density:
|
0.9±0.1 g/cm3
|
|
Bolling_Point:
|
177.4±9.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1 . XlogP 16 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count ', '6 . TPSA 171 ', '7 . Heavy Atom Count 8 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 101 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 2 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
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|
LogP:
|
1.59
|
|
Water_Solubility:
|
INSOLUBLE
|
|
PSA:
|
17.07000
|
|
MF:
|
C7H10O
|
|
More_Info:
|
['1 . Appearance Yellow 透明Liquid ', '2 . Density（g/mL,20℃）0881 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）84-845 ', '6 . Boiling point（ºC,1mmHg）Unknow ', '7 . Refractive index(n20/D)1534 ', '8 . Flash point（ºC）65 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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 ']
|
|
Vapor_Pressure:
|
1.0±0.3 mmHg at 25°C
|
|
Exact_Mass:
|
110.073166
|
