Refractive_Index:
|
1.674
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
Flash_Point:
|
135.1±18.3 °C
|
LogP:
|
1.12
|
Bolling_Point:
|
276.1±20.0 °C at 760 mmHg
|
Water_Solubility:
|
soluble
|
PSA:
|
57.53000
|
Molecular_Structure:
|
['1 . Molar refractive index 3676 ', '2 . Molar volume 979 ', '3 张比容(902K)2823 ', '4 . Surface tension : 690 ', '5 . Dielectric constant 无可用 ', '6 偶极距(10-24cm3)无可用 ', '7 . Polarizability 1457']
|
Computational_Chemistry:
|
['1. XlogP :12 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :9 ', '6. TPSA 575 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :124 ', '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:
|
97-99 °C(lit.)
|
MF:
|
C7H6O3
|
Exact_Mass:
|
138.031693
|
FW:
|
138.121
|
Density:
|
1.4±0.1 g/cm3
|
More_Info:
|
['1 . Appearance Yellow 晶体状粉末 ', '2 . Density(g/mL,25℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)97-99 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,8mm)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(psi,55ºC)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 能溶解于Water 的']
|