Refractive_Index:
|
1.440
|
Vapor_Pressure:
|
0.6±0.4 mmHg at 25°C
|
Flash_Point:
|
69.4±20.0 °C
|
LogP:
|
0.34
|
Bolling_Point:
|
189.0±33.0 °C at 760 mmHg
|
PSA:
|
35.53000
|
Molecular_Structure:
|
['1. Molar refractive index 3561 ', '2. Molar volume 1351 ', '3. Parachor (902K)3245 ', '4. Surface tension 333 ', '5. Dielectric constant N/A ', '6. Polarizability 1411 ', '7. Single isotope mass 144078644 Da ', '8. Nominal mass 144 Da ', '9. Average mass 1441684 Da']
|
Computational_Chemistry:
|
['1. XlogP :04 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 355 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :116 ', '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:
|
-33°C
|
MF:
|
C7H12O3
|
Exact_Mass:
|
144.078644
|
FW:
|
144.168
|
Density:
|
1.1±0.1 g/cm3
|
More_Info:
|
['1 . Appearance Liquid ', '2 . Density(g/mL,25ºC)1080 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)-33 ', '5 . Boiling point(ºC)1968 ', '6 . Boiling point(ºC,50mmHg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(°C)86 ', '9 . Specific rotation(ºF)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,20ºC)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)84 ', '18 . Lower limit of explosion(%,V/V)14 ', '19 . Solubility Unknow']
|