|
FW:
|
148.200
|
|
MF:
|
C7H16O3
|
|
Flash_Point:
|
166 ºF
|
|
Refractive_Index:
|
1.422
|
|
Vapor_Pressure:
|
0.1±0.9 mmHg at 25°C
|
|
Bolling_Point:
|
190 ºC
|
|
Exact_Mass:
|
148.109940
|
|
PSA:
|
38.69000
|
|
Computational_Chemistry:
|
['1 . XlogP 07 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 6 ', '5 . Isotope Atom Count ', '6 . TPSA 387 ', '7 . Heavy Atom Count 10 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 659 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 1 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3950 ', '2 . Molar volume 1543 ', '3 . Parachor （902K）3667 ', '4 . Surface tension 318 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1566']
|
|
LogP:
|
-0.46
|
|
Melting_Point:
|
-80°C
|
|
Density:
|
0.951
|
|
More_Info:
|
['1 . Appearance Colourless 透明粘稠Liquid ', '2 . Density（g/mL,25/25℃）0954 ', '3 . Relative vapor density（g/mL,Atmosphere =1）511 ', '4 . Melting point（ºC）-80 ', '5 . Boiling point（ºC,Atmospheric pressure）190 ', '6 . Boiling point（ºC,16KPa）90-91 ', '7 . Refractive index（25ºC）1419 ', '8 . Flash point（ºC,开口）85 ', '9 黏度（mPa·s,25ºC）333 ', '10 . Vapor pressure（KPa,25ºC）005 ', '11 . Solubility 与Water 混溶。能溶解油脂橡胶天然树脂乙基纤维素硝酸纤维素聚乙酸乙烯酯聚乙烯醇缩丁醛醇酸树脂酚醛树脂尿素树脂等。']
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