Refractive_Index:
|
1.454
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
Flash_Point:
|
139.9±18.8 °C
|
LogP:
|
2.96
|
Bolling_Point:
|
302.4±15.0 °C at 760 mmHg
|
PSA:
|
52.60000
|
Molecular_Structure:
|
['1 . Molar refractive index 6492 ', '2 . Molar volume (m3/mol)2399 ', '3 . Parachor (902K)5642 ', '4 . Surface tension 305 ', '5 . Dielectric constant (F/m)无可用 ', '6 偶极距(D)无可用 ', '7 . Polarizability (10 -24cm 3)2573']
|
Computational_Chemistry:
|
['1 . XlogP 31 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 8 ', '5 . Isotope Atom Count 5 ', '6 . TPSA 526 ', '7 . Heavy Atom Count 17 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 307 ', '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']
|
Melting_Point:
|
5°C
|
MF:
|
C13H20O4
|
Exact_Mass:
|
240.136154
|
FW:
|
240.296
|
Density:
|
1.0±0.1 g/cm3
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density(g/mL,25ºC)1003 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC)Unknow ', '6 . Boiling point(ºC,06mmHg)87 ', '7 . Refractive indexn 20/D 1453(lit) ', '8 . Flash point(°F)>230 ', '9 . Specific rotation(ºF)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,25ºC)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 可Water 解的']
|