Success!

Failed to copy.

Perflunafene
306-94-5 | DTXSID0046511

Searched by CAS-RN: Found 1 result for '306-94-5'.

Image not found
Wikipedia
Imgnotfound
Intrinsic Properties

Molecular Formula: C10F18

Average Mass: 462.081 g/mol

Monoisotopic Mass: 461.971257 g/mol

Structural Identifiers

IUPAC Name: Octadecafluorodecahydronaphthalene

SMILES: FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F

InChI String: InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16

InChIKey: UWEYRJFJVCLAGH-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID0046511 (accessed April 25, 2018), Perflunafene

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

-

6.76 (5)

-

6.03

-

5.62 to 8.35

-

Water Solubility

-

3.38e-05 (4)

-

1.64e-06

-

1.06e-10 to 1.32e-04

mol/L

Density

-

1.83 (2)

-

1.83

-

1.82 to 1.84

g/cm^3

Flash Point

-

45.3 (2)

-

45.3

-

44.2 to 46.4

°C

Melting Point

-6.71 (7)

-17.6 (4)

-8.50

-18.9

-10.0 to 0.0

-30.0 to -2.78

°C

Boiling Point

142 (5)

143 (5)

142

143

142

137 to 150

°C

Surface Tension

-

15.4 (1)

- - - -

dyn/cm

Thermal Conductivity

-

56.4 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

8.42 (4)

-

4.03

-

5.45e-02 to 25.6

mmHg

LogKoa: Octanol-Air

-

3.26 (1)

- - - - -

Henry's Law

-

1.53e-02 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.30 (1)

- - - - -

Molar Refractivity

-

46.5 (1)

- - - -

cm^3

Molar Volume

-

252 (1)

- - - -

cm^3

Polarizability

-

18.4 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

6.76 (5)

6.03

5.62 to 8.35

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

7.80

Not Available

Not Available

NICEATM

6.02

Not Available

Available

ACD/Labs Consensus

5.62

Not Available

Not Available

ACD/Labs

6.03

Not Available

Not Available

OPERA

8.35

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

3.38e-05 (4)

1.64e-06

1.06e-10 to 1.32e-04

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.06e-10 mol/L

Not Available

Not Available

NICEATM

2.68e-08 mol/L

Not Available

Available

TEST

3.26e-06 mol/L

TEST Report

Not Available

OPERA

1.32e-04 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.83 (2)

1.83

1.82 to 1.84

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.84 g/cm^3

Not Available

Not Available

TEST

1.82 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

45.3 (2)

45.3

44.2 to 46.4

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

46.4 °C

Not Available

Not Available

TEST

44.2 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

-6.71 (7)

-8.50

-10.0 to 0.0

Predicted

-17.6 (4)

-18.9

-30.0 to -2.78

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

-10.0 °C

SynQuest

0.0 °C

SynQuest

0.0 °C

Alfa Aesar

-8.50 °C

Alfa Aesar

-8.50 °C

Manchester Organics

-10.0 °C

PhysPropNCCT

-10.0 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-23.5 °C

Not Available

Not Available

NICEATM

-2.78 °C

Not Available

Available

TEST

-30.0 °C

TEST Report

Not Available

OPERA

-14.2 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental

142 (5)

142

142

Predicted

143 (5)

143

137 to 150

Experimental

Source

Result

Alfa Aesar

142 °C

Alfa Aesar

142 °C

SynQuest

142 °C

Manchester Organics

142 °C

PhysPropNCCT

142 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

137 °C

Not Available

Not Available

NICEATM

143 °C

Not Available

Available

ACD/Labs

143 °C

Not Available

Not Available

TEST

150 °C

TEST Report

Not Available

OPERA

141 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

15.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

15.4 dyn/cm

Not Available

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

56.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

56.4 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

8.42 (4)

4.03

5.45e-02 to 25.6

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5.45e-02 mmHg

Not Available

Available

ACD/Labs

6.80 mmHg

Not Available

Not Available

TEST

1.26 mmHg

TEST Report

Not Available

OPERA

25.6 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

3.26 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.26

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.53e-02 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.53e-02 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.30 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.30

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

46.5 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

46.5 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

252 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

252 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

18.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

18.4 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

24400 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.11e-14 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

8.00 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

5.71 (1)

- - - -

days

Bioconcentration Factor

-

1510 (3)

-

1990

-

253 to 2290

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

24400 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

24400 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.11e-14 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.11e-14 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

8.00 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.00 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

5.71 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.71 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1510 (3)

1990

253 to 2290

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

253

Not Available

Available

TEST

2290

TEST Report

Not Available

OPERA

1990

OPERA Model Report

Available

Found 31 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Perflunafene
Octadecafluorodecahydronaphthalene
Naphthalene, 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluorodecahydro-
306-94-5 Active CAS-RN
3-05-00-00249 Beilstein Registry Number
Naphthalene, octadecafluorodecahydro-
Decalin perfluoride
Flutec PP 5
Flutec PP 6
Flutec PP 7
Naphthalene, 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluorodecahydro-
NSC 97066
Octadecafluorodecahydronaphthalene
Octadecafluorodecalin
Perflunafen
perflunafeno
Perfluorodecahydronaphthalene
Perfluorodecalin
BRN 2067113
EINECS 206-192-4
Perflunafenum
UNII-54A06VV62N FDA Registry Number
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluorodecahydronaphthalene
FDC
decahydrooctadecafluoronaphthalene
octadecafluorodecaline
1201928-37-1 Deleted CAS-RN
127964-38-9 Deleted CAS-RN
159813-90-8 Deleted CAS-RN
70323-33-0 Deleted CAS-RN
77115-10-7 Deleted CAS-RN
Imgnotfound
Imgnotfound
Imgnotfound
Imgnotfound

National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

1526th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

5.11e-07

3.77e-05

Ages 12-19

4.01e-07

2.47e-05

Ages 20-65

3.37e-07

3.83e-05

Ages 65+

3.19e-07

2.14e-05

BMI > 30

2.86e-07

1.80e-05

BMI < 30

3.19e-07

2.44e-05

Repro. Age Females

3.50e-07

2.19e-05

Females

3.37e-07

2.00e-05

Males

2.70e-07

1.93e-05

Total

3.77e-07

2.35e-05

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