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Endothal-dipotassium
2164-07-0 | DTXSID0034568

Searched by CAS-RN: Found 1 result for '2164-07-0'.

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Intrinsic Properties

Molecular Formula: C8H8K2O5

Average Mass: 262.344 g/mol

Monoisotopic Mass: 261.964586 g/mol

Structural Identifiers

IUPAC Name: Dipotassium 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate

SMILES: [K+].[K+].[O-]C(=O)C1C2CCC(O2)C1C([O-])=O

InChI String: InChI=1S/C8H10O5.2K/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2

InChIKey: ZPZKADHMBHMAES-UHFFFAOYSA-L

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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/DTXSID0034568 (accessed July 21, 2018), Endothal-dipotassium

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

-

7.82e-01 (4)

-

8.61e-01

-

-0.459 to 1.86

-

Water Solubility

-

5.06e-01 (3)

-

4.10e-01

-

2.02e-01 to 9.07e-01

mol/L

Density

-

1.49 (2)

-

1.49

-

1.43 to 1.54

g/cm^3

Flash Point

-

189 (2)

-

189

-

188 to 190

°C

Melting Point

-

160 (3)

-

162

-

153 to 166

°C

Boiling Point

-

356 (4)

-

333

-

312 to 448

°C

Surface Tension

-

54.1 (2)

-

54.1

-

39.3 to 68.9

dyn/cm

Thermal Conductivity

-

141 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

3.95e-08 (4)

-

1.75e-09

-

4.55e-10 to 1.54e-07

mmHg

Viscosity

-

42.7 (1)

- - - -

cP

LogKoa: Octanol-Air

-

7.84 (1)

- - - - -

Henry's Law

-

5.83e-10 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.57 (1)

- - - - -

Molar Refractivity

-

39.5 (1)

- - - -

cm^3

Molar Volume

-

121 (1)

- - - -

cm^3

Polarizability

-

15.7 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

7.82e-01 (4)

8.61e-01

-0.459 to 1.86

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.86

Not Available

Available

ACD/Labs Consensus

0.3

Not Available

Not Available

ACD/Labs

-0.459

Not Available

Not Available

OPERA

1.42

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

5.06e-01 (3)

4.10e-01

2.02e-01 to 9.07e-01

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

9.07e-01 mol/L

Not Available

Available

TEST

2.02e-01 mol/L

TEST Report

Not Available

OPERA

4.10e-01 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.49 (2)

1.49

1.43 to 1.54

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.54 g/cm^3

Not Available

Not Available

TEST

1.43 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

189 (2)

189

188 to 190

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

190 °C

Not Available

Not Available

TEST

188 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

160 (3)

162

153 to 166

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

162 °C

Not Available

Available

TEST

153 °C

TEST Report

Not Available

OPERA

166 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

356 (4)

333

312 to 448

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

348 °C

Not Available

Available

ACD/Labs

448 °C

Not Available

Not Available

TEST

312 °C

TEST Report

Not Available

OPERA

318 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

54.1 (2)

54.1

39.3 to 68.9

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

68.9 dyn/cm

Not Available

Not Available

TEST

39.3 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

141 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

141 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

3.95e-08 (4)

1.75e-09

4.55e-10 to 1.54e-07

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

4.55e-10 mmHg

Not Available

Available

ACD/Labs

2.88e-09 mmHg

Not Available

Not Available

TEST

1.54e-07 mmHg

TEST Report

Not Available

OPERA

6.14e-10 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

42.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

42.7 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

7.84 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.84

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

5.83e-10 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.83e-10 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.57 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.57

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

39.5 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

39.5 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

121 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

121 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

15.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

15.7 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

60.6 (2)

-

60.6

-

13.2 to 108

L/kg

Atmos. Hydroxylation Rate

-

4.38e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.56 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.26e-01 (1)

- - - -

days

Bioaccumulation Factor

-

9.34 (1)

- - - - -

Bioconcentration Factor

-

7.73 (5)

-

3.16

-

3.02e-01 to 23.0

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

60.6 (2)

60.6

13.2 to 108

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

13.2 L/kg

Not Available

Not Available

OPERA

108 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

4.38e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.38e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.56 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.56 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.26e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.26e-01 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

9.34 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

9.34

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

7.73 (5)

3.16

3.02e-01 to 23.0

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

9.34

Not Available

Not Available

EPISUITE

3.16

Not Available

Not Available

NICEATM

23.0

Not Available

Available

TEST

3.02e-01

TEST Report

Not Available

OPERA

2.91

OPERA Model Report

Available

Found 11 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Endothal-dipotassium
Dipotassium 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, potassium salt (1:2)
2164-07-0 Active CAS-RN
7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, dipotassium salt
Caswell No. 625B
EINECS 218-498-5
Endothall dipotassium salt
7-Endothall, dipotassium salt
EPA Pesticide Chemical Code 038904
UNII-3J70CI8151 FDA Registry Number
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Toxics Release Inventory


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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