Success!

Failed to copy.

Silane, ((4-(4-propyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)tripropyl-
134134-08-0 | DTXSID60158571

Searched by CAS-RN: Found 1 result for '134134-08-0'.

Image not found
Intrinsic Properties

Molecular Formula: C25H38O3Si

Average Mass: 414.661 g/mol

Monoisotopic Mass: 414.259022 g/mol

Structural Identifiers

IUPAC Name: Tripropyl{[4-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]ethynyl}silane

SMILES: CCCC12COC(OC1)(OC2)C1=CC=C(C=C1)C#C[Si](CCC)(CCC)CCC

InChI String: InChI=1S/C25H38O3Si/c1-5-14-24-19-26-25(27-20-24,28-21-24)23-11-9-22(10-12-23)13-18-29(15-6-2,16-7-3)17-8-4/h9-12H,5-8,14-17,19-21H2,1-4H3

InChIKey: KIRVRVYNEANYEW-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID60158571 (accessed July 23, 2018), Silane, ((4-(4-propyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)tripropyl-

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

-

8.17 (5)

-

7.92

-

6.81 to 9.60

-

Water Solubility

-

4.79e-07 (3)

-

8.83e-08

-

1.86e-10 to 1.35e-06

mol/L

Density

-

1.02 (2)

-

1.02

-

1.01 to 1.04

g/cm^3

Flash Point

-

222 (2)

-

222

-

190 to 253

°C

Melting Point

-

147 (3)

-

144

-

106 to 191

°C

Boiling Point

-

416 (5)

-

423

-

333 to 460

°C

Surface Tension

-

38.3 (1)

- - - -

dyn/cm

Vapor Pressure

-

5.38e-07 (3)

-

3.82e-08

-

3.22e-08 to 1.54e-06

mmHg

LogKoa: Octanol-Air

-

11.5 (1)

- - - - -

Henry's Law

-

5.77e-07 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.53 (1)

- - - - -

Molar Refractivity

-

123 (1)

- - - -

cm^3

Molar Volume

-

400 (1)

- - - -

cm^3

Polarizability

-

48.6 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

8.17 (5)

7.92

6.81 to 9.60

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

8.79

Not Available

Not Available

NICEATM

6.81

Not Available

Available

ACD/Labs Consensus

7.72

Not Available

Not Available

ACD/Labs

9.60

Not Available

Not Available

OPERA

7.92

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

4.79e-07 (3)

8.83e-08

1.86e-10 to 1.35e-06

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.86e-10 mol/L

Not Available

Not Available

NICEATM

1.35e-06 mol/L

Not Available

Available

OPERA

8.83e-08 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.02 (2)

1.02

1.01 to 1.04

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.04 g/cm^3

Not Available

Not Available

TEST

1.01 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

222 (2)

222

190 to 253

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

190 °C

Not Available

Not Available

TEST

253 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

147 (3)

144

106 to 191

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

191 °C

Not Available

Not Available

NICEATM

106 °C

Not Available

Available

OPERA

144 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

416 (5)

423

333 to 460

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

453 °C

Not Available

Not Available

NICEATM

333 °C

Not Available

Available

ACD/Labs

460 °C

Not Available

Not Available

TEST

423 °C

TEST Report

Not Available

OPERA

410 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

38.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

38.3 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

5.38e-07 (3)

3.82e-08

3.22e-08 to 1.54e-06

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

3.82e-08 mmHg

Not Available

Available

ACD/Labs

3.22e-08 mmHg

Not Available

Not Available

OPERA

1.54e-06 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

11.5 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

11.5

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

5.77e-07 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.77e-07 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.53 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.53

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

123 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

123 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

400 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

400 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

48.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

48.6 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

233000 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

2.88e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

725 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

2.35 (1)

- - - -

days

Bioconcentration Factor

-

521 (2)

-

521

-

306 to 736

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

233000 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

233000 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

2.88e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.88e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

725 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

725 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

2.35 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.35 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

521 (2)

521

306 to 736

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

736

Not Available

Available

OPERA

306

OPERA Model Report

Available

Found 5 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Silane, ((4-(4-propyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)tripropyl-
Tripropyl{[4-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]ethynyl}silane
Silane, tripropyl[2-[4-(4-propyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)phenyl]ethynyl]-
134134-08-0 Active CAS-RN
((4-(4-Propyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)tripropylsilane
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