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Triphenylmethylphosphonium
15912-74-0 | DTXSID20166591

Searched by Approved Name: Found 1 result for 'Triphenylmethylphosphonium'.

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Intrinsic Properties

Molecular Formula: C19H18P

Average Mass: 277.326 g/mol

Monoisotopic Mass: 277.114064 g/mol

Structural Identifiers

IUPAC Name: Methyl(triphenyl)phosphanium

SMILES: C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

InChI String: InChI=1S/C19H18P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3/q+1

InChIKey: AZFQCTBZOPUVOW-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/DTXSID20166591 (accessed April 26, 2018), Triphenylmethylphosphonium

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

-

3.84 (3)

-

4.07

-

2.17 to 5.27

-

Water Solubility

-

3.80e-05 (3)

-

1.98e-05

-

5.02e-07 to 9.38e-05

mol/L

Melting Point

-

116 (3)

-

111

-

109 to 128

°C

Boiling Point

-

353 (3)

-

358

-

315 to 385

°C

Vapor Pressure

-

9.55e-05 (2)

-

9.55e-05

-

1.75e-06 to 1.89e-04

mmHg

LogKoa: Octanol-Air

-

10.9 (1)

- - - - -

Henry's Law

-

7.27e-07 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

3.84 (3)

4.07

2.17 to 5.27

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

4.07

Not Available

Not Available

NICEATM

2.17

Not Available

Available

OPERA

5.27

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

3.80e-05 (3)

1.98e-05

5.02e-07 to 9.38e-05

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.98e-05 mol/L

Not Available

Not Available

NICEATM

9.38e-05 mol/L

Not Available

Available

OPERA

5.02e-07 mol/L

OPERA Model Report

Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

116 (3)

111

109 to 128

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

109 °C

Not Available

Not Available

NICEATM

111 °C

Not Available

Available

OPERA

128 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

353 (3)

358

315 to 385

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

385 °C

Not Available

Not Available

NICEATM

315 °C

Not Available

Available

OPERA

358 °C

OPERA Model Report

Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

9.55e-05 (2)

9.55e-05

1.75e-06 to 1.89e-04

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.89e-04 mmHg

Not Available

Available

OPERA

1.75e-06 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

10.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

10.9

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

7.27e-07 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.27e-07 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

4370 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.73e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

276 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.58 (1)

- - - -

days

Bioconcentration Factor

-

459 (2)

-

459

-

199 to 718

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

4370 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4370 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.73e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.73e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

276 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

276 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.58 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.58 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

459 (2)

459

199 to 718

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

199

Not Available

Available

OPERA

718

OPERA Model Report

Available

Found 6 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Triphenylmethylphosphonium
Methyl(triphenyl)phosphanium
Phosphonium, methyltriphenyl-
15912-74-0 Active CAS-RN
Methyltriphenylphosphonium
Methyltriphenylphosphonium ion
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Exposure Predictions

There is no exposure data available.

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Executive Summary

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