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Ammonium perfluoro-2-methyl-3-oxahexanoate
62037-80-3 | DTXSID40108559

Searched by Expert Validated Synonym: Found 1 result for 'Ammonium 2-(perfluoropropoxy)perfluoropropionate'.

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Intrinsic Properties

Molecular Formula: C6H4F11NO3

Average Mass: 347.084 g/mol

Monoisotopic Mass: 347.001553 g/mol

Structural Identifiers

IUPAC Name: Ammonium 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate

SMILES: [NH4+].[O-]C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F

InChI String: InChI=1S/C6HF11O3.H3N/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15;/h(H,18,19);1H3

InChIKey: RJWVKMAIYPNUSL-UHFFFAOYSA-N

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Structural Skeleton Full Structure

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Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID40108559 (accessed April 24, 2018), Ammonium perfluoro-2-methyl-3-oxahexanoate

Data Quality

Level 1:Expert curated, highest confidence in accuracy and consistency of unique chemical identifiers

Level 2:Expert curated, unique chemical identifiers using multiple sources

Level 3:Programmatically curated from high quality EPA source, unique chemical identifiers have no conflicts in ChemID and PubChem

Level 4:Programmatically curated from ChemID, unique chemical identifiers have no conflicts in PubChem

Level 5:Programmatically curated from ACToR or PubChem, unique chemical identifiers with low confidence, single public source

Chemical often used to represent "GenX", which is more precisely trade name for a chemical process to produce an alternative to a perfluorooctanoic acid (PFOA or C8) in the synthesis of PTFE (ie Teflon). This structure which is one product is commonly referred to as GenX, and is used in production of common household products including non-stick pans, firefighting foam, and common outdoor fabrics (e.g. Gore-Tex).

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

3.21 (1)

- - - - -

Water Solubility

-

2.66 (1)

- - - -

mol/L

Melting Point

-

164 (1)

- - - -

°C

Boiling Point

-

173 (1)

- - - -

°C

Vapor Pressure

-

5.52e-02 (1)

- - - -

mmHg

LogKoa: Octanol-Air

-

3.74 (1)

- - - - -

Henry's Law

-

2.37e-10 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

3.21 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.21

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

2.66 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.66 mol/L

OPERA Model Report

Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

164 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

164 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

173 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

173 °C

OPERA Model Report

Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

5.52e-02 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.52e-02 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

3.74 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.74

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

2.37e-10 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.37e-10 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

409 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

8.27e-13 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.46 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

6.46e-01 (1)

- - - -

days

Bioconcentration Factor

-

6.27 (1)

- - - - -

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

409 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

409 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

8.27e-13 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.27e-13 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.46 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.46 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

6.46e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.46e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

6.27 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.27

OPERA Model Report

Available

Found 14 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Ammonium perfluoro-2-methyl-3-oxahexanoate
Ammonium 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
Propanoic acid, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-, ammonium salt
62037-80-3 Active CAS-RN
Propanoic acid, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-, ammonium salt (1:1)
2,3,3,3-Tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid, ammonium salt (1:1)
Propanoic acid, 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)-, ammonium salt
Ammonium 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
Ammonium perfluoro-2-methyl-3-oxahexanoate
Ammonium 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
EC 700-242-3
HFPO-DA
Ammonium perfluoro(2-methyl-3-oxahexanoic) acid
Ammonium 2-(perfluoropropoxy)perfluoropropionate
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Exposure Predictions

There is no exposure data available.

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Executive Summary

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