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Hexadecanedioic acid,1,16-dimethyl ester

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Name

Hexadecanedioic acid,1,16-dimethyl ester

EINECS
CAS No. 19102-90-0 Density 0.945 g/cm3
Solubility Melting Point 53 °C
Formula C18H34O4 Boiling Point 351.3 °C at 760 mmHg
Molecular Weight 314.4602 Flash Point 157.5 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 19102-90-0 (Hexadecanedioic acid,1,16-dimethyl ester) Hazard Symbols
Synonyms

Hexadecanedioicacid, dimethyl ester (6CI,7CI,8CI,9CI);1,14-Tetradecanedicarboxylic aciddimethyl ester;Dimethyl hexadecanedioate;Dimethyl thapsate;

 

Hexadecanedioic acid,1,16-dimethyl ester Specification

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 %.

Hexadecanedioic acid,1,16-dimethyl ester can be prepared by Nonanedioic acid monomethyl ester

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 %.

Hexadecanedioic acid,1,16-dimethyl ester is used to produce 2-hydroxy-cyclohexadecanone

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

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