|
Molecular_Structure:
|
['1. Molar refractive index 4262 ', '2. Molar volume 1679 ', '3. Parachor （902K）3972 ', '4. Surface tension 313 ', '5. Dielectric constant N/A ', '6. Polarizability 1689 ', '7. Single isotope mass 174089209 Da ', '8. Nominal mass 174 Da ', '9. Average mass 1741944 Da']
|
|
LogP:
|
0.89120
|
|
Flash_Point:
|
85°C
|
|
Refractive_Index:
|
1.4180
|
|
FW:
|
174.19400
|
|
Density:
|
1,028 g/cm3
|
|
Bolling_Point:
|
97-99°C 8mm
|
|
Computational_Chemistry:
|
['1. XlogP :08 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 526 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :164 ', '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']
|
|
PSA:
|
52.60000
|
|
MF:
|
C8H14O4
|
|
More_Info:
|
['. Boiling point（ºC）8910 ', '相对. Density（20℃，4℃）10328 ', '相对. Density（25℃，4℃）1028 ', '常温. Refractive index（n20）14205常温. Refractive index（n ', '25）14145']
|
|
Vapor_Pressure:
|
0.0722mmHg at 25°C
|
|
Exact_Mass:
|
174.08900
|
