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135876-36-7

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Basic Information
CAS No.: 135876-36-7
Name: BIS(4-(VINYLOXY)BUTYL) ADIPATE 98
Molecular Structure:
Molecular Structure of 135876-36-7 (BIS(4-(VINYLOXY)BUTYL) ADIPATE 98)
Formula: C18H30O6
Molecular Weight: 342.43
Synonyms: Bis(4-vinyloxybutyl) adipate;
Density: 1.02 g/cm3
Boiling Point: 427.8 °C at 760 mmHg
Flash Point: 183.5 °C
PSA: 71.06000
LogP: 3.51380
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Specification

The Hexanedioic acid,1,6-bis[4-(ethenyloxy)butyl] ester, with the CAS registry number of 135876-36-7, is also known as Bis(4-vinyloxybutyl) adipate. This chemical's molecular formula is C18H30O6 and molecular weight is 342.429. What's more, its systematic name is Bis[4-(ethenyloxy)butyl] hexanedioate. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about the Hexanedioic acid,1,6-bis[4-(ethenyloxy)butyl] ester are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 147.67; (6)ACD/BCF (pH 7.4): 147.67; (7)ACD/KOC (pH 5.5): 1242.76; (8)ACD/KOC (pH 7.4): 1242.76; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 71.06 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 91.93 cm3; (15)Molar Volume: 335.5 cm3; (16)Surface Tension: 34.8 dyne/cm; (17)Density: 1.02 g/cm3; (18)Flash Point: 183.5 °C; (19)Enthalpy of Vaporization: 68.29 kJ/mol; (20)Boiling Point: 427.8 °C at 760 mmHg; (21)Vapour Pressure: 1.59E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCO\C=C)CCCCC(=O)OCCCCO\C=C
(2) InChI: InChI=1/C18H30O6/c1-3-21-13-7-9-15-23-17(19)11-5-6-12-18(20)24-16-10-8-14-22-4-2/h3-4H,1-2,5-16H2
(3) InChIKey: BRIBAUTYNMWEHP-UHFFFAOYAA