The Didodecyl carbonate, with the CAS registry number 6627-45-8, is also known as NSC60674. This chemical's molecular formula is C25H50O3 and molecular weight is 398.6627. Its IUPAC name is called didodecyl carbonate.
Physical properties of Didodecyl carbonate: (1)ACD/LogP: 11.84; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#Freely Rotating Bonds: 24; (5)Index of Refraction: 1.45; (6)Molar Refractivity: 121.39 cm3; (7)Molar Volume: 451 cm3; (8)Surface Tension: 31.8 dyne/cm; (9)Density: 0.883 g/cm3; (10)Flash Point: 181.5 °C; (11)Enthalpy of Vaporization: 72.7 kJ/mol; (12)Boiling Point: 465.4 °C at 760 mmHg; (13)Vapour Pressure: 7.73E-09 mmHg at 25°C.
Preparation of Didodecyl carbonate: this chemical can be prepared by 1-bromo-dodecane and Potassium hydrogencarbonate. This reaction will need reagent K2CO3, aliquate 336 and solvent toluene with reaction temperature of 100 °C. The yield is about 67%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCOC(=O)OCCCCCCCCCCCC
(2)InChI: InChI=1S/C25H50O3/c1-3-5-7-9-11-13-15-17-19-21-23-27-25(26)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
(3)InChIKey: GOAUNPQUDWQWCP-UHFFFAOYSA-N
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