|
Bolling_Point:
|
198.0±9.0 °C at 760 mmHg
|
|
LogP:
|
1.78
|
|
More_Info:
|
['1 . Appearance Colourless or 淡Yellow Liquid ，具有类似风信子的香气，稀释后具行Water 果的甜香气。 ', '2 . Density（g/mL ,25/4℃）1027 ', '3 . Refractive index（nD20）15240-15320 ', '4 . Flash point（℃）86 ', '5 . Melting point（℃）33-34 ', '6 . Boiling point（ºC）195 ', ' 7 . Solubility 难Soluble in Water 。Soluble in 大多数有机溶剂。以1:2Soluble in 80％ Ethanol 。 ', '8 稳定性性质不稳定，放置能聚合变稠，能被氧化成苯乙酸，也能被还原成苯 Ethanol 。能与醇(如甲醇 Ethanol )缩合成缩醛。']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :2 ', '6. TPSA 171 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :826 ', '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:
|
−10 °C(lit.)
|
|
Vapor_Pressure:
|
0.4±0.4 mmHg at 25°C
|
|
Exact_Mass:
|
120.057518
|
|
MF:
|
C8H8O
|
|
Density:
|
1.0±0.1 g/cm3
|
|
Refractive_Index:
|
1.514
|
|
Water_Solubility:
|
2.210 g/L (25 ºC)
|
|
PSA:
|
17.07000
|
|
Flash_Point:
|
89.2±10.2 °C
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4046 ', '2 . Molar volume 1358 ', '3 . Parachor （902K）3287 ', '4 . Surface tension 342 ', '5 . Polarizability 1604']
|
|
FW:
|
120.148
|
