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85284-14-6

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Basic Information
CAS No.: 85284-14-6
Name: Bis(2-butoxyethyl) undecanedioate
Molecular Structure:
Molecular Structure of 85284-14-6 (Bis(2-butoxyethyl) undecanedioate)
Formula: C23H44O6
Molecular Weight: 416.59186
Synonyms: Undecanedioic acid bis(2-butoxyethyl) ester;
EINECS: 286-634-0
Density: 0.973 g/cm3
Boiling Point: 483.9 °C at 760 mmHg
Flash Point: 202.9 °C
PSA: 71.06000
LogP: 5.21710
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Specification

The Bis(2-butoxyethyl) undecanedioate, with the CAS registry number 85284-14-6, is also known as Undecanedioic acid bis(2-butoxyethyl) ester. Its EINECS registry number is 286-634-0. This chemical's molecular formula is C23H44O6 and molecular weight is 416.59186. What's more, both its IUPAC name and systematic name are the same which is called Bis(2-butoxyethyl) undecanedioate.

Physical properties about Bis(2-butoxyethyl) undecanedioate are: (1) ACD/LogP: 5.99; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 5.99; (4) ACD/LogD (pH 7.4): 5.99; (5) ACD/BCF (pH 5.5): 20920.4; (6) ACD/BCF (pH 7.4): 20920.4; (7) ACD/KOC (pH 5.5): 43077.47; (8) ACD/KOC (pH 7.4): 43077.47; (9) #H bond acceptors: 6; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 24; (12) Polar Surface Area: 71.06 Å2; (13) Index of Refraction: 1.452; (14) Molar Refractivity: 115.64 cm3; (15) Molar Volume: 427.8 cm3; (16) Surface Tension: 34.3 dyne/cm; (17) Density: 0.973 g/cm3; (18)Flash Point: 202.9 °C; (19) Enthalpy of Vaporization: 74.91 kJ/mol; (20) Boiling Point: 483.9 °C at 760 mmHg; (21) Vapour Pressure: 1.61E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCOCCCC)CCCCCCCCCC(=O)OCCOCCCC
(2) InChI: InChI=1/C23H44O6/c1-3-5-16-26-18-20-28-22(24)14-12-10-8-7-9-11-13-15-23(25)29-21-19-27-17-6-4-2/h3-21H2,1-2H3
(3) InChIKey: QDDSVTIBJSLCJB-UHFFFAOYAU