|
MF:
|
C9H10O
|
|
Water_Solubility:
|
0.37 g/L (15 ºC)
|
|
Bolling_Point:
|
211.0±9.0 °C at 760 mmHg
|
|
Exact_Mass:
|
134.073166
|
|
More_Info:
|
['1 . Appearance Colourless to 略带Yellow 的透明Liquid ，在稍低的温度下凝固，具有山楂子花的芳香及紫苜蓿蜂蜜and 香豆素的香味，且香气较苯乙酮为柔and ，极度稀释后有及草莓似的甜香味。 ', '2 . Boiling point（ºC,1013kPa）226 ', '3 . Boiling point（ºC,15kPa）113 ', '4 . Melting point（ºC）28 ', '5 相对. Density（g/mL,20/4ºC）10051 ', '6 . Refractive index（n20ºC）15335 ', '7 . Flash point（ºC）92 ', '8 . Solubility 易Soluble in Ethanol Ethyl ether 氯仿and 丙二醇等，几乎Insoluble in Water and 甘油。 ', '9 常温. Refractive index（n25）15315 ', '10 相对. Density（25℃，4℃）0996630']
|
|
Melting_Point:
|
45-49 °C(lit.)
|
|
PSA:
|
17.07000
|
|
Flash_Point:
|
92.2±0.0 °C
|
|
Refractive_Index:
|
1.511
|
|
Density:
|
1.0±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4110 ', '2 . Molar volume 1372 ', '3 . Parachor （902K）3301 ', '4 . Surface tension 334 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1629']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :7 ', '6. TPSA 171 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :121 ', '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']
|
|
FW:
|
134.175
|
|
LogP:
|
2.13
|
|
Vapor_Pressure:
|
0.2±0.4 mmHg at 25°C
|
