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26745-88-0

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Basic Information
CAS No.: 26745-88-0
Name: HEXAMETHYLENE SEBACATE POLYMER
Molecular Structure:
Molecular Structure of 26745-88-0 (HEXAMETHYLENE SEBACATE POLYMER)
Formula: C16H32O6
Molecular Weight: 320.4217
Synonyms: Decanedioic acid, polymer with 1,6-hexanediol;Sebacic acid, 1,6-hexanediol polymer;POLY(HEXAMETHYLENE SEBACATE);decanedioic acid; hexane-1,6-diol;Decanedioicacid,polymerwith1,6-hexanediol;
Melting Point: 65 °C
Boiling Point: 374.3 °C at 760 mmHg
Flash Point: 198.3 °C
PSA: 115.06000
LogP: 2.80780
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Specification

The Hexamethylene sebacate polymer, with the CAS registry number 26745-88-0, is also known as Decanedioicacid,polymerwith1,6-hexanediol. This chemical's molecular formula is C16H32O6 and molecular weight is 320.4217. What's more, its IUPAC name is Decanedioic acid; hexane-1,6-diol.

Physical properties about Hexamethylene sebacate polymer are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): -2.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.23; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 52.6 Å2; (13)Flash Point: 198.3 °C; (14)Enthalpy of Vaporization: 68.26 kJ/mol; (15)Boiling Point: 374.3 °C at 760 mmHg; (16)Vapour Pressure: 1.24E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCCC(=O)O.OCCCCCCO
(2)InChI: InChI=1/C10H18O4.C6H14O2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;7-5-3-1-2-4-6-8/h1-8H2,(H,11,12)(H,13,14);7-8H,1-6H2
(3)InChIKey: HZOTTWYEWUMPPM-UHFFFAOYAD