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Dibenzo-p-dioxin
262-12-4 | DTXSID8020410

Searched by CAS-RN: Found 1 result for '262-12-4'.

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Intrinsic Properties

Molecular Formula: C12H8O2

Average Mass: 184.194 g/mol

Monoisotopic Mass: 184.052429 g/mol

Structural Identifiers

IUPAC Name: Oxanthrene

SMILES: O1C2=CC=CC=C2OC2=C1C=CC=C2

InChI String: InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H

InChIKey: NFBOHOGPQUYFRF-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/DTXSID8020410 (accessed April 22, 2018), Dibenzo-p-dioxin

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

4.30 (1)

4.01 (5)

-

4.29

4.30

2.88 to 4.38

-

Water Solubility

4.89e-06 (1)

1.93e-05 (4)

-

1.35e-05

4.89e-06

4.62e-06 to 4.58e-05

mol/L

Density

-

1.21 (2)

-

1.21

-

1.18 to 1.24

g/cm^3

Flash Point

-

115 (2)

-

115

-

115 to 116

°C

Melting Point

122 (5)

105 (4)

122

112

120 to 123

76.7 to 120

°C

Boiling Point

-

294 (5)

-

288

-

266 to 339

°C

Surface Tension

-

51.0 (1)

- - - -

dyn/cm

Thermal Conductivity

-

132 (1)

- - - -

mW/(m*K)

Vapor Pressure

4.12e-04 (1)

2.03e-03 (4)

-

3.91e-04

4.12e-04

1.49e-04 to 7.20e-03

mmHg

LogKoa: Octanol-Air

-

6.90 (1)

- - - - -

Henry's Law

-

2.84e-06 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.63 (1)

- - - - -

Molar Refractivity

-

52.4 (1)

- - - -

cm^3

Molar Volume

-

148 (1)

- - - -

cm^3

Polarizability

-

20.8 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

4.30 (1)

-

4.30

Predicted

4.01 (5)

4.29

2.88 to 4.38

Experimental

Source

Result

PhysPropNCCT

4.30

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

4.34

Not Available

Not Available

NICEATM

2.88

Not Available

Available

ACD/Labs Consensus

4.14

Not Available

Not Available

ACD/Labs

4.38

Not Available

Not Available

OPERA

4.29

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

4.89e-06 (1)

-

4.89e-06

Predicted

1.93e-05 (4)

1.35e-05

4.62e-06 to 4.58e-05

Experimental

Source

Result

PhysPropNCCT

4.89e-06 mol/L

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

4.71e-06 mol/L

Not Available

Not Available

NICEATM

4.58e-05 mol/L

Not Available

Available

TEST

4.62e-06 mol/L

TEST Report

Not Available

OPERA

2.23e-05 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.21 (2)

1.21

1.18 to 1.24

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.24 g/cm^3

Not Available

Not Available

TEST

1.18 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

115 (2)

115

115 to 116

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

116 °C

Not Available

Not Available

TEST

115 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

122 (5)

122

120 to 123

Predicted

105 (4)

112

76.7 to 120

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

294 (5)

288

266 to 339

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

299 °C

Not Available

Not Available

NICEATM

266 °C

Not Available

Available

ACD/Labs

278 °C

Not Available

Not Available

TEST

288 °C

TEST Report

Not Available

OPERA

339 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

51.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

51.0 dyn/cm

Not Available

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

132 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

132 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental

4.12e-04 (1)

-

4.12e-04

Predicted

2.03e-03 (4)

3.91e-04

1.49e-04 to 7.20e-03

Experimental

Source

Result

PhysPropNCCT

4.12e-04 mmHg

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5.40e-04 mmHg

Not Available

Available

ACD/Labs

7.20e-03 mmHg

Not Available

Not Available

TEST

2.42e-04 mmHg

TEST Report

Not Available

OPERA

1.49e-04 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

6.90 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.90

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

2.84e-06 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.84e-06 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.63 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.63

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

52.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

52.4 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

148 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

148 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

20.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

20.8 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

20100 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

1.20e-11 (1)

1.34e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

5.96 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

9.08e-01 (1)

- - - -

days

Bioconcentration Factor

-

418 (3)

-

458

-

79.4 to 717

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

20100 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

20100 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental

1.20e-11 (1)

-

-
Predicted

1.34e-11 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

1.20e-11 cm3/molecule*sec

Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.34e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

5.96 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.96 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

9.08e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.08e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

418 (3)

458

79.4 to 717

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

717

Not Available

Available

TEST

458

TEST Report

Not Available

OPERA

79.4

OPERA Model Report

Available

Found 18 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Dibenzo-p-dioxin
Oxanthrene
Dibenzo[b,e][1,4]dioxin
262-12-4 Active CAS-RN
Dibenzo[b,e][1,4]dioxin
Dibenzo[1,4]dioxin
dibenzo-p-dioxina
dibenzo-p-dioxinne
Diphenylene dioxide
Oxanthrene
Phenodioxin
Dibenzo-para-dioxin
EINECS 205-974-2
NCI-C03656
UNII-O1B5KJ235I FDA Registry Number
dibenzo[1,4]dioxine
dibenzo[b,e][1,4]dioxine
dibenzodioxin
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

4723rd highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

2.18e-07

1.35e-05

Ages 12-19

1.52e-07

9.66e-06

Ages 20-65

1.27e-07

9.67e-06

Ages 65+

1.11e-07

7.54e-06

BMI > 30

1.51e-07

9.36e-06

BMI < 30

1.45e-07

1.12e-05

Repro. Age Females

1.46e-07

1.10e-05

Females

1.25e-07

1.08e-05

Males

9.54e-08

6.92e-06

Total

1.40e-07

8.33e-06

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Executive Summary

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