|
Refractive_Index:
|
1.458
|
|
Vapor_Pressure:
|
0.0±1.8 mmHg at 25°C
|
|
Flash_Point:
|
177.4±23.2 °C
|
|
LogP:
|
0.34
|
|
Bolling_Point:
|
369.6±25.0 °C at 760 mmHg
|
|
Water_Solubility:
|
0.81 g/100 mL (20 ºC)
|
|
PSA:
|
66.40000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4421 ', '2 . Molar volume 1619 ', '3 . Parachor （902K）4000 ', '4 . Surface tension : 372 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 1752']
|
|
Computational_Chemistry:
|
['1 . XlogP 05 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 664 ', '7 . Heavy Atom Count 12 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 177 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 1 ', '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:
|
187-190 °C(lit.)
|
|
MF:
|
C8H15NO3
|
|
Exact_Mass:
|
173.105194
|
|
FW:
|
173.210
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White 细粉末晶体。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）189-190 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow 7 . Refractive index（C=5,EtOH)-22 8 . Flash point（ºC）Unknow 9 . Specific rotation（ºc=4, MeOH）-245 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 Soluble in Water ，酸and 有机溶剂。']
|
