|
Refractive_Index:
|
1.408
|
|
Vapor_Pressure:
|
1.8±0.3 mmHg at 25°C
|
|
Flash_Point:
|
52.2±0.0 °C
|
|
LogP:
|
1.25
|
|
Bolling_Point:
|
166.2±0.0 °C at 760 mmHg
|
|
Water_Solubility:
|
1.6 g/100 mL (20 ºC)
|
|
PSA:
|
35.53000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3799 ', '2 . Molar volume 1539 ', '3 . Parachor （902K）3550 ', '4 . Surface tension 283 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1506']
|
|
Vapor_Density:
|
5.03 (vs air)
|
|
Computational_Chemistry:
|
['1. XlogP :06 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 355 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :909 ', '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:
|
-75 °C
|
|
MF:
|
C7H14O3
|
|
Exact_Mass:
|
146.094299
|
|
FW:
|
146.184
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['1 液相标准热熔(J·mol-1·K-1) 2877 ', '2 . Density（g/mL,25/4℃）09461g/mL ', '3 . Relative vapor density（g/mL,Atmosphere =1）503 ', '4 . Melting point（ºC）-75 -171°C ', '5 . Boiling point（ºC,Atmospheric pressure）166755°C ', '6 相对. Density（20℃，4℃）09490 ', '7 . Refractive indexn 20/D 14065 ', '8 . Flash point（ºF）126° ', '9 常温. Refractive index（n25）14041 ', '10 . Critical temperature（ºC）34785 ', '11 . Critical pressure（MPa）266 ', '12 临界. Density（g·cm-3）0319 ', '13 临界体积（cm3·mol-1）458 ', '14 临界压缩因子0236 ', '15 偏心因子0578 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 20 ºCWater 中的溶解度为16 g/100 mL']
|
