 Home > Encyclopedia > 2-Butenedioic acid (2E)-, mono(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) ester

2-Butenedioic acid (2E)-, mono(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) ester

2-Butenedioic acid (2E)-, mono(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) ester structure

CAS No:
86130-60-1
Formula:
C14H7F17O4
Chemical Name:
2-Butenedioic acid (2E)-, mono(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) ester
Synonyms:
2-Butenedioic acid (2E)-,mono(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) ester;2-Butenedioic acid (E)-,mono(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) ester

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2-Butenedioic acid (2E)-, mono(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) ester Basic Attributes

Molecular Weight：

562.18

Exact Mass：

562.18

EC Number：

289-195-3

Characteristics

Density：

1.632±0.06 g/cm3

Boiling Point：

323.7±42.0 °C(Predicted)

PKA：

3.28±0.10

2-Butenedioic acid (2E)-, mono(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) ester Use and Manufacturing

Use Classification：

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

Computed Properties

Molecular Weight:562.17
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:21
Rotatable Bond Count:12
Exact Mass:562.0072875
Monoisotopic Mass:562.0072875
Topological Polar Surface Area:63.6
Heavy Atom Count:35
Complexity:827
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Butenedioic acid (2E)-, mono(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) ester

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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