DIMETHYL HEXADECANEDIOATE

The Hexadecanedioic acid,1,16-dimethyl ester, with the CAS registry number 19102-90-0, is also known as 1,14-Tetradecanedicarboxylic acid dimethyl ester. This chemical's molecular formula is C₁₈H₃₄O₄ and molecular weight is 314.46. What's more, both its IUPAC name and systematic name are the same which is called Dimethyl hexadecanedioate.

Physical properties about Hexadecanedioic acid,1,16-dimethyl ester are: (1)ACD/LogP: 5.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.97; (4)ACD/LogD (pH 7.4): 5.97; (5)ACD/BCF (pH 5.5): 20454.2; (6)ACD/BCF (pH 7.4): 20454.2; (7)ACD/KOC (pH 5.5): 42388.15; (8)ACD/KOC (pH 7.4): 42388.15; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 88.99 cm³; (15)Molar Volume: 332.6 cm³; (16)Polarizability: 35.27×10^-24 cm³; (17)Surface Tension: 33 dyne/cm; (18)Density: 0.945 g/cm³; (19)Flash Point: 157.5 °C; (20)Enthalpy of Vaporization: 59.6 kJ/mol; (21)Boiling Point: 351.3 °C at 760 mmHg; (22)Vapour Pressure: 4.14E-05 mmHg at 25 °C.

Preparation of Hexadecanedioic acid,1,16-dimethyl ester: this chemical can be prepared by Nonanedioic acid monomethyl ester. This reaction needs reagent Na and solvents Methanol, Pyridine at temperature of 20 °C. The yield is 63 %.

Use of Hexadecanedioic acid,1,16-dimethyl ester: it is used to produce other chemicals. For example, it is used to produce 2-Hydroxy-cyclohexadecanone. This reaction needs reagent Sodium and solvent Xylene .The reaction time is 1 hours by heating. The yield is about 85 %.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCCCCCCCCCCCCCC(=O)OC
(2)InChI: InChI=1/C18H34O4/c1-21-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)22-2/h3-16H2,1-2H3
(3)InChIKey: MQIZSSSBYFJIJF-UHFFFAOYAF