|
Refractive_Index:
|
1.564
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Flash_Point:
|
121.1±0.0 °C
|
|
LogP:
|
1.89
|
|
Bolling_Point:
|
249.3±9.0 °C at 760 mmHg
|
|
Water_Solubility:
|
Slightly soluble. 0.34 g/100 mL
|
|
PSA:
|
37.30000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3318 ', '2 . Molar volume 1019 ', '3 . Parachor （902K）2694 ', '4 . Surface tension 487 ', '5 . Polarizability 1315']
|
|
Vapor_Density:
|
4.21 (vs air)
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :104 ', '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:
|
121-125 °C(lit.)
|
|
MF:
|
C7H6O2
|
|
Exact_Mass:
|
122.036781
|
|
FW:
|
122.121
|
|
Density:
|
1.2±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White 单斜片状or 针状结晶。质轻。无气味or 微有类似安息香or 苯甲醛的气味。能随Water 蒸气挥发。在约100℃时开始升华。 ', '2 相对. Density（25℃，4℃）10749130 ', '3 相对. Density（20℃，4℃）1265915 ', '4 . Melting point（ºC）1224 ', '5 . Boiling point（ºC,Atmospheric pressure）2494 ', '6 常温. Refractive index（n25）1504132 ', '7 . Refractive index153974 ', '8 . Flash point（ºC）121-131 ', '9 溶度参数(J·cm-3)0522432 ', '10 van der Waals面积（cm2·mol-1）9274×109 ', '11 van der Waals体积（cm3·mol-1）65370 ', '12 气相标准. Combustion heat(焓)(kJ·mol-1)-33220 ', '13 气相标准声称热(焓)( kJ·mol-1) -2901 ', '14 气相标准熵(J·mol-1·K-1) 36910 ', '15 气相标准生成自由能( kJ·mol-1)-2103 ', '16 气相标准热熔(J·mol-1·K-1)10347 ', '17液相标准. Combustion heat(焓)(kJ·mol-1)-12731 ', '18液相标准声称热(焓)( kJ·mol-1)-1933 ', '19 . Solubility 1g Product Soluble in 23ml冷 Ethanol 15ml沸 Ethanol 45ml氯仿3ml Ethyl ether 3ml丙酮30ml四氯化碳10ml苯30ml二硫化碳23ml松节油。Soluble in 油类，微Soluble in 冷Water ，Soluble in 热Water ，易Soluble in Ethanol Ethyl ether and 其他有机溶剂。Water 中溶解度随碱性物质（如硼砂磷酸三钠）的存在而增加。微Soluble in 己烷。 ', '20 液相标准熵(J·mol-1·K-1) 2264 ', '21 液相标准生成自由能( kJ·mol-1)-3776 ', '22 液相标准热熔(J·mol-1·K-1)1746']
|
