|
Refractive_Index:
|
n20/D 1.422
|
|
Vapor_Pressure:
|
0.0889mmHg at 25°C
|
|
Flash_Point:
|
200-205°C
|
|
LogP:
|
1.89730
|
|
Bolling_Point:
|
200-205°C
|
|
FW:
|
130.18500
|
|
PSA:
|
37.30000
|
|
Computational_Chemistry:
|
['1. XlogP :21 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :106 ', '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']
|
|
MF:
|
C7H14O2
|
|
Exact_Mass:
|
130.09900
|
|
Molecular_Structure:
|
['1. Molar refractive index 36 ', '2. Molar volume 1387 ', '3. Parachor （902K）3275 ', '4. Surface tension 31 ', '5. Dielectric constant N/A ', '6. Polarizability 1427 ', '7. Single isotope mass 13009938 Da ', '8. Nominal mass 130 Da ', '9. Average mass 1301849 Da']
|
|
Density:
|
0.918 g/mL at 20 °C(lit.)
|
|
More_Info:
|
['1 . Appearance Liquid ', '2 . Density（g/mL,20℃）0918 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）200-205 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,16mm）Unknow ', '7 . Refractive index（n 20/D ）1422 ', '8 . Flash point（ºC）200-205 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '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 难溶解于Water 的']
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