|
FW:
|
230.301
|
|
MF:
|
C12H22O4
|
|
Refractive_Index:
|
1.435
|
|
Vapor_Pressure:
|
0.0±0.4 mmHg at 25°C
|
|
Bolling_Point:
|
241.0±0.0 °C at 760 mmHg
|
|
Exact_Mass:
|
230.151810
|
|
PSA:
|
52.60000
|
|
Computational_Chemistry:
|
['1 . XlogP 36 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 9 ', '5 . Isotope Atom Count ', '6 . TPSA 526 ', '7 . Heavy Atom Count 16 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 205 ', '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']
|
|
Molecular_Structure:
|
['1 性状未确定 ', '2 密度（g/mL,25/4℃）0,958 ', '3 相对蒸汽密度（g/mL,空气=1）未确定 ', '4 熔点（ºC）未确定 ', '5 沸点（ºC,常压）248-251 ', '6 沸点（ºC,52kPa）未确定 ', '7 折射率未确定 ', '8 闪点（℃）未确定 ', '9 比旋光度（º）未确定 ', '10 自燃点或引燃温度（ºC）未确定 ', '11 蒸气压（kPa,25ºC）未确定 ', '12 饱和蒸气压（kPa,60ºC）未确定 ', '13 燃烧热（KJ/mol）未确定 ', '14 临界温度（ºC）未确定 ', '15 临界压力（KPa）未确定 ', '16 油水（辛醇/水）分配系数的对数值未确定 ', '17 爆炸上限（%,V/V）未确定 ', '18 爆炸下限（%,V/V）未确定 ', '19 溶解性未确定']
|
|
LogP:
|
2.99
|
|
Melting_Point:
|
6ºC
|
|
Flash_Point:
|
109.8±16.9 °C
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['分子性质数据 ', '1 摩尔. Refractive index6111 ', '2 摩尔体积（m3/mol）2343 ', '3 等张比容（902K）5538 ', '4 表面张力（30 dyne/cm）311 ', '5 极化率（05 10-24cm3）2422 ', '6 常温. Refractive index（n20）14255 ', '7 常温. Refractive index（n25）14223 ', '8 . Boiling point（ºC）. Boiling point（ºC）241 ', '9 相对. Density（25℃，4℃）09580']
|
