Success!

Failed to copy.

Dimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)chlorosilane
119386-82-2 | DTXSID70404995

Searched by Approved Name: Found 1 result for 'DIMETHYL(3,3,4,4,5,5,6,6,6-NONAFLUOROHEXYL)CHLOROSILANE'.

Image not found
Intrinsic Properties

Molecular Formula: C8H10ClF9Si

Average Mass: 340.69 g/mol

Monoisotopic Mass: 340.009658 g/mol

Structural Identifiers

IUPAC Name: Chloro(dimethyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane

SMILES: C[Si](C)(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChI String: InChI=1S/C8H10ClF9Si/c1-19(2,9)4-3-5(10,11)6(12,13)7(14,15)8(16,17)18/h3-4H2,1-2H3

InChIKey: IHMWVSNXULAOAZ-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID70404995 (accessed April 24, 2018), Dimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)chlorosilane

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

-

5.50 (4)

-

5.60

-

5.02 to 5.78

-

Water Solubility

-

6.94e-04 (3)

-

6.43e-05

-

1.12e-06 to 2.02e-03

mol/L

Density

-

1.46 (2)

-

1.46

-

1.33 to 1.59

g/cm^3

Flash Point

-

48.2 (2)

-

48.2

-

35.1 to 61.4

°C

Melting Point

-

-35.2 (3)

-

-49.9

-

-65.3 to 9.63

°C

Boiling Point

-

147 (4)

-

138

-

135 to 178

°C

Surface Tension

-

13.4 (2)

-

13.4

-

10.7 to 16.0

dyn/cm

Vapor Pressure

-

10.2 (4)

-

1.83

-

1.18 to 36.0

mmHg

LogKoa: Octanol-Air

-

3.10 (1)

- - - - -

Henry's Law

-

4.07e-03 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.34 (1)

- - - - -

Molar Refractivity

-

54.0 (1)

- - - -

cm^3

Molar Volume

-

257 (1)

- - - -

cm^3

Polarizability

-

21.4 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

5.50 (4)

5.60

5.02 to 5.78

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5.45

Not Available

Available

ACD/Labs Consensus

5.78

Not Available

Not Available

ACD/Labs

5.76

Not Available

Not Available

OPERA

5.02

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

6.94e-04 (3)

6.43e-05

1.12e-06 to 2.02e-03

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

6.43e-05 mol/L

Not Available

Available

OPERA

2.02e-03 mol/L

OPERA Model Report

Available

TEST

1.12e-06 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.46 (2)

1.46

1.33 to 1.59

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.33 g/cm^3

Not Available

Not Available

TEST

1.59 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

48.2 (2)

48.2

35.1 to 61.4

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

61.4 °C

Not Available

Not Available

TEST

35.1 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

-35.2 (3)

-49.9

-65.3 to 9.63

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

-49.9 °C

Not Available

Available

TEST

-65.3 °C

TEST Report

Not Available

OPERA

9.63 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

147 (4)

138

135 to 178

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

141 °C

Not Available

Available

ACD/Labs

178 °C

Not Available

Not Available

TEST

135 °C

TEST Report

Not Available

OPERA

135 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

13.4 (2)

13.4

10.7 to 16.0

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

16.0 dyn/cm

Not Available

Not Available

TEST

10.7 dyn/cm

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

10.2 (4)

1.83

1.18 to 36.0

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

36.0 mmHg

Not Available

Available

ACD/Labs

1.38 mmHg

Not Available

Not Available

TEST

2.29 mmHg

TEST Report

Not Available

OPERA

1.18 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

3.10 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.10

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

4.07e-03 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.07e-03 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.34 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.34

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

54.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

54.0 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

257 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

257 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

21.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

21.4 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

11100 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

4.65e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

75.8 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.71e-01 (1)

- - - -

days

Bioconcentration Factor

-

3750 (2)

-

3750

-

858 to 6630

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

11100 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

11100 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

4.65e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.65e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

75.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

75.8 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.71e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.71e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

3750 (2)

3750

858 to 6630

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

6630

Not Available

Available

OPERA

858

OPERA Model Report

Available

Found 4 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Dimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)chlorosilane
Chloro(dimethyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
Silane, chlorodimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-
119386-82-2 Active CAS-RN
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