|
Refractive_Index:
|
1.46384 (589.3 nm 35 ºC)
|
|
Vapor_Pressure:
|
0.0±2.8 mmHg at 25°C
|
|
Flash_Point:
|
155.4±19.4 °C
|
|
LogP:
|
6.71
|
|
Bolling_Point:
|
483.3±35.0 °C at 760 mmHg
|
|
Water_Solubility:
|
Insuluble (5.3E-3 g/L) (25 ºC)
|
|
FW:
|
356.540
|
|
PSA:
|
66.76000
|
|
Computational_Chemistry:
|
['1 . XlogP 65 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 19 ', '5 . Isotope Atom Count ', '6 . TPSA 668 ', '7 . Heavy Atom Count 25 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 315 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 1 ', '13 . Defined Bond Stereocenter Count 1 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
|
|
Melting_Point:
|
38.5 ºC (acetone )
|
|
MF:
|
C21H40O4
|
|
Exact_Mass:
|
356.292664
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 10420 ', '2 . Molar volume （m3/mol）3676 ', '3 . Parachor （902K）9104 ', '4 . Surface tension 375 ', '5 . Polarizability 4130']
|
|
Density:
|
0.9407 g/cm3 (35 ºC)
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL, 20 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）35-37 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）180 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）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']
|
