|
MF:
|
C8H9ClO
|
|
Bolling_Point:
|
215.2±15.0 °C at 760 mmHg
|
|
Exact_Mass:
|
156.034195
|
|
More_Info:
|
['1 . Appearance White or Yellow 透明Liquid ', '2 . Density（g/mL,25℃）1125 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）283-298 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，26mmHg）122-124 ', '7 . Refractive index(n20/D)1549 ', '8 . Flash point（ºC）98 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,217ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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']
|
|
Melting_Point:
|
28.3-29.8 °C(lit.)
|
|
PSA:
|
9.23000
|
|
Flash_Point:
|
89.6±14.4 °C
|
|
Refractive_Index:
|
1.517
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Molecular_Structure:
|
['1. Molar refractive index 4269 ', '2. Molar volume 1411 ', '3. Parachor （902K）3391 ', '4. Surface tension 333 ', '5. Dielectric constant N/A ', '6. Polarizability 1692 ', '7. Single isotope mass 156034193 Da ', '8. Nominal mass 156 Da ', '9. Average mass 1566095 Da']
|
|
Computational_Chemistry:
|
['1 . XlogP 24 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 92 ', '7 . Heavy Atom Count 10 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 953 ', '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:
|
156.609
|
|
LogP:
|
2.40
|
|
Vapor_Pressure:
|
0.2±0.4 mmHg at 25°C
|
