|
FW:
|
96.17020
|
|
MF:
|
C7H12
|
|
Refractive_Index:
|
n20/D 1.441(lit.)
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More_Info:
|
['1 . Appearance 浅Yellow or Colourless 透明Liquid ', '2 . Density（g/mL,25℃）0744 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）94 ', '6 . Boiling point（ºC,014mmHg）Unknow ', '7 . Refractive index(n20/D)1441 ', '8 . Flash point（ºC）-11 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,25ºC）67 ', '12 . Saturated vapor pressure（kPa,25ºC）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']
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|
Bolling_Point:
|
94ºC(lit.)
|
|
Exact_Mass:
|
96.09390
|
|
Vapor_Pressure:
|
56.8mmHg at 25°C
|
|
Computational_Chemistry:
|
['1. XlogP :33 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :926 ', '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']
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|
Molecular_Structure:
|
['1. Molar refractive index 3394 ', '2. Molar volume 1323 ', '3. Parachor （902K）2792 ', '4. Surface tension 197 ', '5. Dielectric constant 259 ', '6. Polarizability 1345 ', '7. Single isotope mass 960939 Da ', '8. Nominal mass 96 Da ', '9. Average mass 961702 Da']
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|
LogP:
|
2.52870
|
|
Flash_Point:
|
50 °F
|
|
Density:
|
0.744 g/mL at 25ºC(lit.)
|
