|
Refractive_Index:
|
1.405
|
|
Vapor_Pressure:
|
1.3±0.3 mmHg at 25°C
|
|
Flash_Point:
|
58.7±15.9 °C
|
|
LogP:
|
-0.10
|
|
Bolling_Point:
|
178.8±15.0 °C at 760 mmHg
|
|
FW:
|
162.227
|
|
PSA:
|
27.69000
|
|
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 ', '6 . TPSA 277 ', '7 . Heavy Atom Count 11 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 754 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 2 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
MF:
|
C8H18O3
|
|
Exact_Mass:
|
162.125595
|
|
Molecular_Structure:
|
['1. Molar refractive index 4426 ', '2. Molar volume 1804 ', '3. Parachor （902K）4042 ', '4. Surface tension 251 ', '5. Dielectric constant N/A ', '6. Polarizability 1754 ', '7. Single isotope mass 162125594 Da ', '8. Nominal mass 162 Da ', '9. Average mass 1622267 Da']
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Liquid ', '2 . Density（g/mL,25ºC）0902 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）175 ', '6 . Boiling point（ºC，05mmHg）Unknow ', '7 . Refractive indexn 20/D 1408(lit) ', '8 . Flash point（°C）65 ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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 Unknow']
|
