Success!

Failed to copy.

10H-Dibenzo(f,h)phenanthro(9',10':4,5)furo(3,2-c)chromen-10-one
89507-31-3 | DTXSID30237766

Searched by CAS-RN: Found 1 result for '89507-31-3'.

Image not found
Intrinsic Properties

Molecular Formula: C31H16O3

Average Mass: 436.466 g/mol

Monoisotopic Mass: 436.109944 g/mol

Structural Identifiers

IUPAC Name: 10H-Phenanthro[9,10-b]phenanthro[9',10':4,5]furo[2,3-d]pyran-10-one

SMILES: O=C1OC2=C(C3=C1C1=C(O3)C3=CC=CC=C3C3=CC=CC=C13)C1=CC=CC=C1C1=CC=CC=C21

InChI String: InChI=1S/C31H16O3/c32-31-27-25-21-13-5-1-9-17(21)19-11-3-7-15-23(19)28(25)33-30(27)26-22-14-6-2-10-18(22)20-12-4-8-16-24(20)29(26)34-31/h1-16H

InChIKey: AYGFZQBWTZGWLH-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID30237766 (accessed July 23, 2018), 10H-Dibenzo(f,h)phenanthro(9',10':4,5)furo(3,2-c)chromen-10-one

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

Loaded based on no conflicts with this data in chemid and pubchem

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

7.21 (5)

-

8.20

-

3.10 to 9.16

-

Water Solubility

-

9.35e-10 (4)

-

5.74e-10

-

3.95e-11 to 2.55e-09

mol/L

Density

-

1.47 (2)

-

1.47

-

1.42 to 1.52

g/cm^3

Flash Point

-

375 (2)

-

375

-

351 to 398

°C

Melting Point

-

305 (4)

-

315

-

243 to 349

°C

Boiling Point

-

592 (5)

-

684

-

351 to 734

°C

Surface Tension

-

70.5 (1)

- - - -

dyn/cm

Vapor Pressure

-

1.82e-10 (4)

-

2.94e-11

-

0.0 to 6.68e-10

mmHg

LogKoa: Octanol-Air

-

11.7 (1)

- - - - -

Henry's Law

-

3.13e-08 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.85 (1)

- - - - -

Molar Refractivity

-

137 (1)

- - - -

cm^3

Molar Volume

-

307 (1)

- - - -

cm^3

Polarizability

-

54.3 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

7.21 (5)

8.20

3.10 to 9.16

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

7.24

Not Available

Not Available

NICEATM

3.10

Not Available

Available

ACD/Labs Consensus

8.36

Not Available

Not Available

ACD/Labs

9.16

Not Available

Not Available

OPERA

8.20

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

9.35e-10 (4)

5.74e-10

3.95e-11 to 2.55e-09

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.13e-10 mol/L

Not Available

Not Available

NICEATM

9.34e-10 mol/L

Not Available

Available

OPERA

2.55e-09 mol/L

OPERA Model Report

Available

TEST

3.95e-11 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.47 (2)

1.47

1.42 to 1.52

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.42 g/cm^3

Not Available

Not Available

TEST

1.52 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

375 (2)

375

351 to 398

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

398 °C

Not Available

Not Available

TEST

351 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

305 (4)

315

243 to 349

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

308 °C

Not Available

Not Available

NICEATM

243 °C

Not Available

Available

OPERA

321 °C

OPERA Model Report

Available

TEST

349 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

592 (5)

684

351 to 734

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

704 °C

Not Available

Not Available

NICEATM

351 °C

Not Available

Available

ACD/Labs

734 °C

Not Available

Not Available

OPERA

485 °C

OPERA Model Report

Available

TEST

684 °C

TEST Report

Not Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

70.5 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

70.5 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

1.82e-10 (4)

2.94e-11

0.0 to 6.68e-10

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

6.68e-10 mmHg

Not Available

Available

ACD/Labs

0.0 mmHg

Not Available

Not Available

OPERA

5.89e-11 mmHg

OPERA Model Report

Available

TEST

1.55e-16 mmHg

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

11.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

11.7

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

3.13e-08 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.13e-08 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.85 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.85

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

137 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

137 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

307 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

307 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

54.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

54.3 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

86300 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.37e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

244 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.03 (1)

- - - -

days

Bioconcentration Factor

-

1250 (3)

-

861

-

376 to 2500

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

86300 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

86300 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.37e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.37e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

244 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

244 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.03 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.03 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1250 (3)

861

376 to 2500

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

376

Not Available

Available

OPERA

2500

OPERA Model Report

Available

TEST

861

TEST Report

Not Available

Found 4 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
10H-Dibenzo(f,h)phenanthro(9',10':4,5)furo(3,2-c)chromen-10-one
10H-Phenanthro[9,10-b]phenanthro[9',10':4,5]furo[2,3-d]pyran-10-one
89507-31-3 Active CAS-RN
NSC 346410
Imgnotfound
Imgnotfound
Imgnotfound
Imgnotfound

National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Exposure Predictions

There is no exposure data available.

Imgnotfound

PubChem Articles

Select Term:

AND

AND

Edit the Query Before Querying ()

You have hit the max of 255 characters for this query.

PubChem Patents

Loading Image

Searched with a similarity threshold of 0.8

Executive Summary

Imgnotfound