|
FW:
|
102.132
|
|
MF:
|
C5H10O2
|
|
Refractive_Index:
|
1.422
|
|
More_Info:
|
['1相对. Density（25℃，4℃）10537 ', '2常温. Refractive index（n20）145303常温. Refractive index（n ', '25）14513']
|
|
Vapor_Pressure:
|
0.2±0.8 mmHg at 25°C
|
|
Bolling_Point:
|
187.7±23.0 °C at 760 mmHg
|
|
Exact_Mass:
|
102.068077
|
|
PSA:
|
37.30000
|
|
Computational_Chemistry:
|
['1 . XlogP -03 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 373 ', '7 . Heavy Atom Count 7 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 433 ', '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']
|
|
Molecular_Structure:
|
['1. Molar refractive index 2693 ', '2. Molar volume 1058 ', '3. Parachor （902K）2566 ', '4. Surface tension 345 ', '5. Dielectric constant N/A ', '6. Polarizability 1067 ', '7. Single isotope mass 10206808Da ', '8. Nominal mass 102Da ', '9. Average mass 1021317Da']
|
|
LogP:
|
-0.60
|
|
Flash_Point:
|
72.0±15.2 °C
|
|
Density:
|
1.0±0.1 g/cm3
|
