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Sodium fluoroacetate
62-74-8 | DTXSID8024311

Searched by Approved Name: Found 1 result for 'Sodium fluoroacetate'.

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Intrinsic Properties

Molecular Formula: C2H2FNaO2

Average Mass: 100.024 g/mol

Monoisotopic Mass: 99.993652 g/mol

Structural Identifiers

IUPAC Name: Sodium fluoroacetate

SMILES: [Na+].[O-]C(=O)CF

InChI String: InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1

InChIKey: JGFYQVQAXANWJU-UHFFFAOYSA-M

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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/DTXSID8024311 (accessed April 22, 2018), Sodium fluoroacetate

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

No Quality Control Notes.

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

-0.919 (5)

-

-0.226

-

-3.78 to -0.118

-

Water Solubility

11.1 (1)

7.70 (3)

-

6.50

11.1

4.21 to 12.4

mol/L

Density

-

1.26 (2)

-

1.26

-

1.25 to 1.27

g/cm^3

Flash Point

-

64.1 (2)

-

64.1

-

55.3 to 72.8

°C

Melting Point

201 (1)

88.7 (4)

-

92.1

201

21.3 to 149

°C

Boiling Point

-

206 (5)

-

167

-

142 to 393

°C

Surface Tension

-

28.7 (2)

-

28.7

-

28.4 to 29.0

dyn/cm

Thermal Conductivity

-

159 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

5.94 (4)

-

4.22

-

8.28e-01 to 14.5

mmHg

Viscosity

-

1.77 (1)

- - - -

cP

LogKoa: Octanol-Air

-

3.70 (1)

- - - - -

Henry's Law

-

2.08e-08 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.34 (1)

- - - - -

Molar Refractivity

-

13.0 (1)

- - - -

cm^3

Molar Volume

-

61.6 (1)

- - - -

cm^3

Polarizability

-

5.17 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

-0.919 (5)

-0.226

-3.78 to -0.118

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-3.78

Not Available

Not Available

NICEATM

-0.215

Not Available

Available

ACD/Labs Consensus

-0.257

Not Available

Not Available

ACD/Labs

-0.226

Not Available

Not Available

OPERA

-0.118

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

11.1 (1)

-

11.1

Predicted

7.70 (3)

6.50

4.21 to 12.4

Experimental

Source

Result

PhysPropNCCT

11.1 mol/L

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

6.50 mol/L

Not Available

Available

OPERA

12.4 mol/L

OPERA Model Report

Available

TEST

4.21 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.26 (2)

1.26

1.25 to 1.27

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.27 g/cm^3

Not Available

Not Available

TEST

1.25 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

64.1 (2)

64.1

55.3 to 72.8

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

55.3 °C

Not Available

Not Available

TEST

72.8 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

201 (1)

-

201

Predicted

88.7 (4)

92.1

21.3 to 149

Experimental

Source

Result

PhysPropNCCT

201 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

149 °C

Not Available

Not Available

NICEATM

41.3 °C

Not Available

Available

OPERA

143 °C

OPERA Model Report

Available

TEST

21.3 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

206 (5)

167

142 to 393

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

393 °C

Not Available

Not Available

NICEATM

167 °C

Not Available

Available

ACD/Labs

168 °C

Not Available

Not Available

OPERA

161 °C

OPERA Model Report

Available

TEST

142 °C

TEST Report

Not Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

28.7 (2)

28.7

28.4 to 29.0

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

29.0 dyn/cm

Not Available

Not Available

TEST

28.4 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

159 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

159 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

5.94 (4)

4.22

8.28e-01 to 14.5

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

3.25 mmHg

Not Available

Available

ACD/Labs

8.28e-01 mmHg

Not Available

Not Available

OPERA

14.5 mmHg

OPERA Model Report

Available

TEST

5.20 mmHg

TEST Report

Not Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

1.77 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

1.77 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

3.70 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.70

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

2.08e-08 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.08e-08 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.34 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.34

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

13.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

13.0 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

61.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

61.6 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

5.17 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

5.17 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

4.32 (2)

-

4.32

-

1.49 to 7.16

L/kg

Atmos. Hydroxylation Rate

-

1.46e-13 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.44 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.76e-01 (1)

- - - -

days

Bioaccumulation Factor

-

9.82e-01 (1)

- - - - -

Bioconcentration Factor

-

1.89 (5)

-

9.82e-01

-

1.23e-01 to 4.47

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

4.32 (2)

4.32

1.49 to 7.16

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.49 L/kg

Not Available

Not Available

OPERA

7.16 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.46e-13 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.46e-13 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.44 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.44 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.76e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.76e-01 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

9.82e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

9.82e-01

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1.89 (5)

9.82e-01

1.23e-01 to 4.47

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

9.82e-01

Not Available

Not Available

EPISUITE

3.16

Not Available

Not Available

NICEATM

1.23e-01

Not Available

Available

OPERA

4.47

OPERA Model Report

Available

TEST

7.33e-01

TEST Report

Not Available

Found 28 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Sodium fluoroacetate
Acetic acid, 2-fluoro-, sodium salt (1:1)
62-74-8 Active CAS-RN
1080
Caswell No. 770
Compound 1080
EINECS 200-548-2
EPA Pesticide Chemical Code 075003
Fluorakil 3
Fluoroacetic acid, sodium salt
Furatol
NSC 77690
Ratbane 1080
RCRA waste number P058
Sodium fluoacetate
Sodium fluoacetic acid
Sodium fluoracetate
Yasoknock
Fluoroacetate de sodium
Fluoroctan sodny
Monofluoressigsaures natrium
Natriumfluoracetaat
Natriumfluoracetat
Sodio, fluoracetato di
Sodium fluoroacetate de
UNII-166WTM3843 FDA Registry Number
Sodium monofluoroacetate
fluoroacetic acid sodium salt
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Toxics Release Inventory


National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

7777th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

4.80e-09

6.26e-07

Ages 12-19

6.29e-09

6.48e-07

Ages 20-65

6.41e-09

5.71e-07

Ages 65+

3.98e-09

4.85e-07

BMI > 30

4.61e-09

5.27e-07

BMI < 30

5.74e-09

6.99e-07

Repro. Age Females

6.93e-09

5.38e-07

Females

5.90e-09

7.20e-07

Males

3.16e-09

3.60e-07

Total

5.43e-09

5.56e-07

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