Molecular Structure of Bisphenol A diphosphate (CAS NO.181028-79-5):
Empirical Formula: C15H14O8P2
Molecular Weight: 388.25
H bond acceptors: 8
H bond donors: 4
Freely Rotating Bonds: 6
Polar Surface Area: 164.46 Å2
Index of Refraction: 1.606
Molar Refractivity: 88.38 cm3
Molar Volume: 256 cm3
Surface Tension: 67.8 dyne/cm
Density: 1.516 g/cm3
Flash Point: 329.8 °C
Enthalpy of Vaporization: 96.82 kJ/mol
Boiling Point: 621.6 °C at 760 mmHg
Vapour Pressure: 2.58E-16 mmHg at 25°C
SMILES: CC(C)(c1ccc(cc1)OP(=O)([O-])[O-])c2ccc(cc2)OP(=O)([O-])[O-]
InChI: InChI=1/C15H18O8P2/c1-15(2,11-3-7-13(8-4-11)22-24(16,17)18)12-5-9-14(10-6-12)23-25(19,20)21/h3-10H,1-2H3,(H2,16,17,18)(H2,19,20,21)/p-4
Bisphenol A diphosphate , with CAS number of 181028-79-5, can be called phenol, 4,4'-(1-methylethylidene)bis-, bis(dihydrogen phosphate), ion(4-) ; Propane-2,2-diyldi-4,1-phenylene bis(phosphate) .
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