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Phosphinous acid, dicyclopentyl-, isopropyl ester
74038-32-7 | DTXSID60224881

Searched by CAS-RN: Found 1 result for '74038-32-7'.

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Intrinsic Properties

Molecular Formula: C13H25OP

Average Mass: 228.316 g/mol

Monoisotopic Mass: 228.164302 g/mol

Structural Identifiers

IUPAC Name: Propan-2-yl dicyclopentylphosphinite

SMILES: CC(C)OP(C1CCCC1)C1CCCC1

InChI String: InChI=1S/C13H25OP/c1-11(2)14-15(12-7-3-4-8-12)13-9-5-6-10-13/h11-13H,3-10H2,1-2H3

InChIKey: NGPPDXXDDCXIOJ-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/DTXSID60224881 (accessed July 22, 2018), Phosphinous acid, dicyclopentyl-, isopropyl ester

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

-

4.26 (5)

-

4.64

-

2.47 to 5.14

-

Water Solubility

-

1.85e-04 (3)

-

8.37e-05

-

5.59e-06 to 4.66e-04

mol/L

Density

-

9.39e-01 (1)

- - - -

g/cm^3

Flash Point

-

142 (2)

-

142

-

126 to 159

°C

Melting Point

-

23.8 (4)

-

23.3

-

3.35 to 45.2

°C

Boiling Point

-

281 (5)

-

279

-

270 to 294

°C

Vapor Pressure

-

7.95e-01 (3)

-

4.36e-03

-

3.01e-03 to 2.38

mmHg

Viscosity

-

20.7 (1)

- - - -

cP

LogKoa: Octanol-Air

-

8.41 (1)

- - - - -

Henry's Law

-

3.45e-04 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

4.26 (5)

4.64

2.47 to 5.14

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

5.14

Not Available

Not Available

NICEATM

2.47

Not Available

Available

ACD/Labs Consensus

3.94

Not Available

Not Available

ACD/Labs

5.14

Not Available

Not Available

OPERA

4.64

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

1.85e-04 (3)

8.37e-05

5.59e-06 to 4.66e-04

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

5.59e-06 mol/L

Not Available

Not Available

NICEATM

4.66e-04 mol/L

Not Available

Available

OPERA

8.37e-05 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

9.39e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

9.39e-01 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

142 (2)

142

126 to 159

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

159 °C

Not Available

Not Available

TEST

126 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

23.8 (4)

23.3

3.35 to 45.2

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

26.3 °C

Not Available

Not Available

NICEATM

20.4 °C

Not Available

Available

OPERA

3.35 °C

OPERA Model Report

Available

TEST

45.2 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

281 (5)

279

270 to 294

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

275 °C

Not Available

Not Available

NICEATM

279 °C

Not Available

Available

ACD/Labs

294 °C

Not Available

Not Available

OPERA

288 °C

OPERA Model Report

Available

TEST

270 °C

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

7.95e-01 (3)

4.36e-03

3.01e-03 to 2.38

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.38 mmHg

Not Available

Available

ACD/Labs

3.01e-03 mmHg

Not Available

Not Available

OPERA

4.36e-03 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

20.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

20.7 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

8.41 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.41

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

3.45e-04 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.45e-04 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

2700 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

3.59e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

78.4 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

7.03e-01 (1)

- - - -

days

Bioconcentration Factor

-

1110 (3)

-

313

-

5.32 to 3010

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

2700 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2700 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

3.59e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.59e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

78.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

78.4 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

7.03e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.03e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1110 (3)

313

5.32 to 3010

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

3010

Not Available

Available

OPERA

5.32

OPERA Model Report

Available

TEST

313

TEST Report

Not Available

Found 7 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Phosphinous acid, dicyclopentyl-, isopropyl ester
Propan-2-yl dicyclopentylphosphinite
Phosphinous acid, P,P-dicyclopentyl-, 1-methylethyl ester
74038-32-7 Active CAS-RN
Dicyclopentylphosphinous acid isopropyl ester
Isopropyl dicyclopentylphosphinite
NSC 222443
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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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