|
Molecular_Structure:
|
['1 . Molar refractive index 4368 ', '2 . Molar volume 1315 ', '3 . Parachor （902K）3504 ', '4 . Surface tension 503 ', '5 . Polarizability 1731']
|
|
Flash_Point:
|
157.1±25.1 °C
|
|
Refractive_Index:
|
1.553
|
|
FW:
|
178.185
|
|
Density:
|
1.3±0.1 g/cm3
|
|
Water_Solubility:
|
REACTS
|
|
Bolling_Point:
|
326.1±42.0 °C at 760 mmHg
|
|
Computational_Chemistry:
|
['1. XlogP :12 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 434 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :344 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :4 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
|
LogP:
|
0.45
|
|
Vapor_Density:
|
6.1 (20 °C, vs air)
|
|
PSA:
|
43.37000
|
|
MF:
|
C10H10O3
|
|
More_Info:
|
['1 . Appearance 浅Yellow 透明油状Liquid ', '2 . Density（g/mL,20℃）1236 ', '3 . Boiling point（ºC,Atmospheric pressure）＞250 ', '4 . Refractive index1506-1508 ', '5 . Flash point（ºC）135 ', '6 . Solubility Soluble in 苯甲苯丙酮四氯化碳氯仿 Ethanol 等有机溶剂 ', '7 黏度0175～0225Pa·s']
|
|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
|
Exact_Mass:
|
178.062988
|
