MF:	C7H12
Bolling_Point:	112-114ºC
Exact_Mass:	96.09390
More_Info:	['1 . Appearance Liquid ', '2 . Density（g/mL,20ºC）08 ', '3 液相标准热熔(J·mol-1·K-1)1812 ', '4 . Melting point（ºC）-130 ', '5 . Boiling point（ºC,Atmospheric pressure）112-114 ', '6 . Boiling point（ºC, 05mmHg） ', '7 . Refractive index（nD20）14500 ', '8 气相标准. Combustion heat(焓)(kJ·mol-1)-445144 ', '9 气相标准声称热(焓)( kJ·mol-1) -1812 ', '10 . Spontaneous ignition point or ignition temperature（ºC）<16 ', '11 液相标准. Combustion heat(焓)(kJ·mol-1)-441282 ', '12 液相标准声称热(焓)( kJ·mol-1)-5674 ', '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']
Melting_Point:	-130ºC
Flash_Point:	2.7ºC
Refractive_Index:	1.45
Density:	0.907g/cm3
Molecular_Structure:	['1 . Molar refractive index 3394 ', '2 . Molar volume 1059 ', '3 . Parachor （902K）2646 ', '4 . Surface tension 389 ', '5 . Polarizability 1345']
Computational_Chemistry:	['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :72 ', '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']
FW:	96.17020
LogP:	2.50670
Vapor_Pressure:	23mmHg at 25°C