|
FW:
|
146.184
|
|
MF:
|
C7H14O3
|
|
Water_Solubility:
|
42 g/L (25 ºC)
|
|
Refractive_Index:
|
1.432
|
|
Vapor_Pressure:
|
0.2±0.8 mmHg at 25°C
|
|
Bolling_Point:
|
189.4±8.0 °C at 760 mmHg
|
|
Exact_Mass:
|
146.094299
|
|
PSA:
|
46.53000
|
|
Vapor_Density:
|
5.04 (vs air)
|
|
Computational_Chemistry:
|
['1. XlogP :11 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 465 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :101 ', '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']
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|
Molecular_Structure:
|
['1 . Molar refractive index 3774 ', '2 . Molar volume 1454 ', '3 . Parachor （902K）3494 ', '4 表面张力（30 dyne/cm）333 ', '5 . Polarizability （05 10-24cm3）1496']
|
|
LogP:
|
0.88
|
|
Melting_Point:
|
−28 °C(lit.)
|
|
Flash_Point:
|
69.4±0.0 °C
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 稳定Liquid 。气味温and 。有酸and 碱存在时Water 解，但不吸Water 。 ', '2 . Density（g/mL,20/4℃）09837 ', '3 . Melting point（ºC）-43 ', '4 . Boiling point（ºC,Atmospheric pressure）185 ', '5 . Refractive index（20ºC）14217 ', '6 黏度（mPa·s,20ºC）358 ', '7 . Flash point（ºC）71 ', '8 . Vapor pressure（kPa,75ºC）133 ', '9 蒸发热（KJ/kg,20ºC）3240 ', '10 体膨胀系数（K-1）000099 ', '11 . Solubility 微Soluble in Water ，能与烃类油脂混溶。能溶解硝酸纤维素醋酸纤维素天然树脂与合成树脂等。20℃时在Water 中溶解40%；25℃时溶解34%。']
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