Molecular Structure of 1,1-Bis(4-methylphenyl)propanone (CAS No.158212-03-4):
Molecular Formula: C17H18O
Molecular Weight: 238.32
CAS No: 158212-03-4
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.554
Molar Refractivity: 74.51 cm3
Molar Volume: 232.2 cm3
Surface Tension: 38 dyne/cm
Density: 1.026 g/cm3
Flash Point: 141.7 °C
Enthalpy of Vaporization: 59.03 kJ/mol
Boiling Point: 346.1 °C at 760 mmHg
Vapour Pressure: 5.88E-05 mmHg at 25°C
Systematic Name: 2-Propanone, 1,1-bis(4-methylphenyl)-
InChI: InChI=1/C17H18O/c1-12-4-8-15(9-5-12)17(14(3)18)16-10-6-13(2)7-11-16/h4-11,17H,1-3H3
InChIKey: JPSZHJGDZGCIPT-UHFFFAOYAW
Std. InChI: InChI=1S/C17H18O/c1-12-4-8-15(9-5-12)17(14(3)18)16-10-6-13(2)7-11-16/h4-11,17H,1-3H3
Std. InChIKey: JPSZHJGDZGCIPT-UHFFFAOYSA-N
1,1-Bis(4-methylphenyl)propanone (CAS No.158212-03-4), it also can be called 1,1-Bis(4-methylphenyl)-2-propanone ; 1,1-Bis(4-methylphenyl)acetone ; 2-Propanone, 1,1-bis(4-methylphenyl)- .
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