|
Refractive_Index:
|
1.565
|
|
Vapor_Pressure:
|
7.3E-06mmHg at 25°C
|
|
Flash_Point:
|
181.4ºC
|
|
LogP:
|
1.50460
|
|
Bolling_Point:
|
376.3ºC at 760mmHg
|
|
PSA:
|
55.40000
|
|
Molecular_Structure:
|
['1. Molar refractive index 5229 ', '2. Molar volume 1604 ', '3. Parachor （902K）4158 ', '4. Surface tension 451 ', '5. Dielectric constant N/A ', '6. Polarizability 2073 ', '7. Single isotope mass 193073893Da ', '8. Nominal mass 193Da ', '9. Average mass 1931992Da']
|
|
Computational_Chemistry:
|
['1 . XlogP 16 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 554 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 227 ', '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']
|
|
Melting_Point:
|
97-101ºC
|
|
MF:
|
C10H11NO3
|
|
Exact_Mass:
|
193.07400
|
|
FW:
|
193.19900
|
|
Density:
|
1.204g/cm3
|
|
More_Info:
|
['1 . Appearance White or 灰White 结晶性粉末 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）97-101 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,12mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '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 ']
|
