Dodecanedioic acid monomethyl ester

The Dodecanedioic acid,1-methyl ester, with CAS registry number 3903-40-0, has the systematic name of 12-methoxy-12-oxododecanoic acid. Besides this, it is also called Dodecanedioic acid monomethyl ester. And the chemical formula of this chemical is C₁₃H₂₄O₄.

Physical properties of Dodecanedioic acid,1-methyl ester: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 0.8; (5)ACD/BCF (pH 5.5): 35.28; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 264.79; (8)ACD/KOC (pH 7.4): 4.25; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 65.61 cm³; (15)Molar Volume: 241.2 cm³; (16)Polarizability: 26.01×10^-24cm³; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 1.012 g/cm³; (19)Flash Point: 124.3 °C; (20)Enthalpy of Vaporization: 65.96 kJ/mol; (21)Boiling Point: 355.3 °C at 760 mmHg; (22)Vapour Pressure: 5.28E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by dodecanedioic acid monomethyl ester. This reaction will need reagents Ba(OH)₂, methanol.

Uses of Dodecanedioic acid,1-methyl ester: it can be used to produce docosanedioic acid dimethyl ester. This reaction will need reagent KOH and solvent methanol. The reaction time is 5 day(s). The yield is about 64%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCCCCC(=O)OC
(2)InChI: InChI=1/C13H24O4/c1-17-13(16)11-9-7-5-3-2-4-6-8-10-12(14)15/h2-11H2,1H3,(H,14,15)
(3)InChIKey: REGGDLIBDASKGE-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H24O4/c1-17-13(16)11-9-7-5-3-2-4-6-8-10-12(14)15/h2-11H2,1H3,(H,14,15)
(5)Std. InChIKey: REGGDLIBDASKGE-UHFFFAOYSA-N