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2-Nonylpyridine
10523-35-0 | DTXSID00147020

Searched by CAS-RN: Found 1 result for '10523-35-0'.

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Intrinsic Properties

Molecular Formula: C14H23N

Average Mass: 205.345 g/mol

Monoisotopic Mass: 205.183050 g/mol

Structural Identifiers

IUPAC Name: 2-Nonylpyridine

SMILES: CCCCCCCCCC1=CC=CC=N1

InChI String: InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15-14/h9-10,12-13H,2-8,11H2,1H3

InChIKey: OXXAGZCRGWURQM-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/DTXSID00147020 (accessed June 19, 2018), 2-Nonylpyridine

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

-

5.25 (5)

-

5.31

-

4.59 to 5.64

-

Water Solubility

-

1.72e-04 (4)

-

1.53e-04

-

7.22e-06 to 3.73e-04

mol/L

Density

-

9.03e-01 (2)

-

9.03e-01

-

8.89e-01 to 9.17e-01

g/cm^3

Flash Point

-

132 (2)

-

132

-

129 to 136

°C

Melting Point

-

47.4 (4)

-

55.0

-

16.1 to 63.5

°C

Boiling Point

-

275 (5)

-

276

-

262 to 288

°C

Surface Tension

-

32.5 (2)

-

32.5

-

31.4 to 33.7

dyn/cm

Thermal Conductivity

-

140 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

4.34e-02 (4)

-

1.10e-02

-

8.91e-04 to 1.51e-01

mmHg

Viscosity

-

8.79 (1)

- - - -

cP

LogKoa: Octanol-Air

-

7.44 (1)

- - - - -

Henry's Law

-

1.76e-04 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.49 (1)

- - - - -

Molar Refractivity

-

66.3 (1)

- - - -

cm^3

Molar Volume

-

231 (1)

- - - -

cm^3

Polarizability

-

26.3 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

5.25 (5)

5.31

4.59 to 5.64

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

5.28

Not Available

Not Available

NICEATM

4.59

Not Available

Available

ACD/Labs Consensus

5.64

Not Available

Not Available

ACD/Labs

5.44

Not Available

Not Available

OPERA

5.31

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

1.72e-04 (4)

1.53e-04

7.22e-06 to 3.73e-04

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.23e-04 mol/L

Not Available

Not Available

NICEATM

3.73e-04 mol/L

Not Available

Available

OPERA

7.22e-06 mol/L

OPERA Model Report

Available

TEST

1.83e-04 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

9.03e-01 (2)

9.03e-01

8.89e-01 to 9.17e-01

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

8.89e-01 g/cm^3

Not Available

Not Available

TEST

9.17e-01 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

132 (2)

132

129 to 136

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

136 °C

Not Available

Not Available

TEST

129 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

47.4 (4)

55.0

16.1 to 63.5

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

63.5 °C

Not Available

Not Available

NICEATM

49.0 °C

Not Available

Available

OPERA

61.1 °C

OPERA Model Report

Available

TEST

16.1 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

275 (5)

276

262 to 288

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

288 °C

Not Available

Not Available

NICEATM

262 °C

Not Available

Available

ACD/Labs

276 °C

Not Available

Not Available

OPERA

265 °C

OPERA Model Report

Available

TEST

281 °C

TEST Report

Not Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

32.5 (2)

32.5

31.4 to 33.7

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

33.7 dyn/cm

Not Available

Not Available

TEST

31.4 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

140 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

140 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

4.34e-02 (4)

1.10e-02

8.91e-04 to 1.51e-01

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.51e-01 mmHg

Not Available

Available

ACD/Labs

8.43e-03 mmHg

Not Available

Not Available

OPERA

1.36e-02 mmHg

OPERA Model Report

Available

TEST

8.91e-04 mmHg

TEST Report

Not Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

8.79 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

8.79 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

7.44 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.44

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.76e-04 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.76e-04 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.49 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.49

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

66.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

66.3 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

231 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

231 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

26.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

26.3 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

1500 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.97e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.66 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

4.84 (1)

- - - -

days

Bioconcentration Factor

-

181000 (3)

-

725

-

143 to 542000

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

1500 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1500 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.97e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.97e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.66 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.66 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

4.84 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.84 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

181000 (3)

725

143 to 542000

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

542000

Not Available

Available

OPERA

725

OPERA Model Report

Available

TEST

143

TEST Report

Not Available

Found 4 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
2-Nonylpyridine
Pyridine, 2-nonyl-
10523-35-0 Active CAS-RN
EINECS 234-073-7
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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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