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Oxychlordane
27304-13-8 | DTXSID9044166

Searched by Approved Name: Found 1 result for '(+/-)-Oxychlordane'.

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Intrinsic Properties

Molecular Formula: C10H4Cl8O

Average Mass: 423.74 g/mol

Monoisotopic Mass: 419.777036 g/mol

Structural Identifiers

IUPAC Name: Not Found

SMILES: Cl[C@H]1[C@H]2[C@@H]([C@H]3O[C@@]13Cl)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl

InChI String: InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H/t1-,2+,3+,6-,7+,8-,9+/m1/s1

InChIKey: VWGNQYSIWFHEQU-KGEUUOKHSA-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/DTXSID9044166 (accessed April 24, 2018), Oxychlordane

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

-

5.09 (4)

-

5.16

-

4.23 to 5.79

-

Water Solubility

-

3.97e-07 (3)

-

4.43e-07

-

2.32e-07 to 5.16e-07

mol/L

Density

-

1.97 (2)

-

1.97

-

1.95 to 1.98

g/cm^3

Flash Point

-

176 (2)

-

176

-

165 to 186

°C

Melting Point

144 (1)

143 (3)

-

149

144

130 to 150

°C

Boiling Point

353 (1)

375 (4)

-

355

353

346 to 442

°C

Surface Tension

-

62.1 (1)

- - - -

dyn/cm

Vapor Pressure

-

2.48e-06 (4)

-

2.07e-06

-

1.33e-07 to 5.67e-06

mmHg

LogKoa: Octanol-Air

8.39 (1)

9.71 (1)

- - - - -

Henry's Law

-

4.77e-05 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.67 (1)

- - - - -

Molar Refractivity

-

80.0 (1)

- - - -

cm^3

Molar Volume

-

214 (1)

- - - -

cm^3

Polarizability

-

31.7 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

5.09 (4)

5.16

4.23 to 5.79

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5.16

Not Available

Available

ACD/Labs Consensus

5.16

Not Available

Not Available

ACD/Labs

4.23

Not Available

Not Available

OPERA

5.79

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

3.97e-07 (3)

4.43e-07

2.32e-07 to 5.16e-07

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

4.43e-07 mol/L

Not Available

Available

TEST

5.16e-07 mol/L

TEST Report

Not Available

OPERA

2.32e-07 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.97 (2)

1.97

1.95 to 1.98

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.98 g/cm^3

Not Available

Not Available

TEST

1.95 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

176 (2)

176

165 to 186

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

165 °C

Not Available

Not Available

TEST

186 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

144 (1)

-

144

Predicted

143 (3)

149

130 to 150

Experimental

Source

Result

PhysPropNCCT

144 °C

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

130 °C

Not Available

Available

TEST

150 °C

TEST Report

Not Available

OPERA

149 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental

353 (1)

-

353

Predicted

375 (4)

355

346 to 442

Experimental

Source

Result

PhysPropNCCT

353 °C

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

352 °C

Not Available

Available

ACD/Labs

442 °C

Not Available

Not Available

TEST

358 °C

TEST Report

Not Available

OPERA

346 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

62.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

62.1 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

2.48e-06 (4)

2.07e-06

1.33e-07 to 5.67e-06

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

4.59e-07 mmHg

Not Available

Available

ACD/Labs

1.33e-07 mmHg

Not Available

Not Available

TEST

3.67e-06 mmHg

TEST Report

Not Available

OPERA

5.67e-06 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental

8.39 (1)

-

-
Predicted

9.71 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

8.39

Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.71

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

4.77e-05 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.77e-05 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.67 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.67

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

80.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

80.0 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

214 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

214 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

31.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

31.7 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

20900 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

6.80e-13 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

176 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

116 (1)

- - - -

days

Bioconcentration Factor

-

3320 (3)

-

2670

-

2160 to 5130

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

20900 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

20900 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

6.80e-13 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.80e-13 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

176 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

176 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

116 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

116 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

3320 (3)

2670

2160 to 5130

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2670

Not Available

Available

TEST

2160

TEST Report

Not Available

OPERA

5130

OPERA Model Report

Available

Found 13 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Oxychlordane
27304-13-8 Active CAS-RN
2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,6a,7,7-octachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aS)-rel-
Octachlor epoxide
Oxychlordane
(+/-)-Oxychlordane
2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,6a,7,7-octachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aα,1bβ,2α,5α,5aβ,6β,6aα)-
4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-, exo,endo-
Oxychlordan
BRN 5596903
4,7-Methanoindan, 3a,4,7,7a-tetrahydro-2,3-epoxy-1,2,4,5,6,7,8,8-octachloro-, exo,endo-
1-exo,2-endo,4,5,6,7,8,8-Octachloro-2,3-exo-epoxy-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene
26880-48-8 Deleted CAS-RN
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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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