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1-Decene, 10-methoxy-
72928-41-7 | DTXSID7072670

Searched by CAS-RN: Found 1 result for '72928-41-7'.

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Intrinsic Properties

Molecular Formula: C11H22O

Average Mass: 170.296 g/mol

Monoisotopic Mass: 170.167065 g/mol

Structural Identifiers

IUPAC Name: 10-Methoxydec-1-ene

SMILES: COCCCCCCCCC=C

InChI String: InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11-12-2/h3H,1,4-11H2,2H3

InChIKey: UIGGBQKGVMXIQC-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/DTXSID7072670 (accessed July 21, 2018), 1-Decene, 10-methoxy-

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

SRS/ChemID matched; SRS trust index 3

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

4.15 (5)

-

4.24

-

3.68 to 4.35

-

Water Solubility

-

5.96e-04 (4)

-

5.88e-04

-

6.93e-05 to 1.14e-03

mol/L

Density

-

8.09e-01 (2)

-

8.09e-01

-

8.05e-01 to 8.13e-01

g/cm^3

Flash Point

-

77.5 (2)

-

77.5

-

72.5 to 82.6

°C

Melting Point

-

-40.7 (4)

-

-44.9

-

-56.6 to -16.5

°C

Boiling Point

-

218 (5)

-

221

-

205 to 224

°C

Surface Tension

-

26.3 (2)

-

26.3

-

26.2 to 26.4

dyn/cm

Thermal Conductivity

-

137 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

2.72e-01 (4)

-

1.83e-01

-

9.79e-02 to 6.23e-01

mmHg

Viscosity

-

1.72 (1)

- - - -

cP

LogKoa: Octanol-Air

-

5.25 (1)

- - - - -

Henry's Law

-

9.90e-04 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.43 (1)

- - - - -

Molar Refractivity

-

54.5 (1)

- - - -

cm^3

Molar Volume

-

212 (1)

- - - -

cm^3

Polarizability

-

21.6 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

4.15 (5)

4.24

3.68 to 4.35

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

4.35

Not Available

Not Available

NICEATM

4.24

Not Available

Available

ACD/Labs Consensus

4.28

Not Available

Not Available

ACD/Labs

4.19

Not Available

Not Available

OPERA

3.68

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

5.96e-04 (4)

5.88e-04

6.93e-05 to 1.14e-03

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

6.93e-05 mol/L

Not Available

Not Available

NICEATM

1.02e-04 mol/L

Not Available

Available

OPERA

1.14e-03 mol/L

OPERA Model Report

Available

TEST

1.07e-03 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

8.09e-01 (2)

8.09e-01

8.05e-01 to 8.13e-01

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

8.05e-01 g/cm^3

Not Available

Not Available

TEST

8.13e-01 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

77.5 (2)

77.5

72.5 to 82.6

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

72.5 °C

Not Available

Not Available

TEST

82.6 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

-40.7 (4)

-44.9

-56.6 to -16.5

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-16.5 °C

Not Available

Not Available

NICEATM

-43.6 °C

Not Available

Available

OPERA

-56.6 °C

OPERA Model Report

Available

TEST

-46.1 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

218 (5)

221

205 to 224

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

205 °C

Not Available

Not Available

NICEATM

224 °C

Not Available

Available

ACD/Labs

219 °C

Not Available

Not Available

OPERA

221 °C

OPERA Model Report

Available

TEST

221 °C

TEST Report

Not Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

26.3 (2)

26.3

26.2 to 26.4

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

26.2 dyn/cm

Not Available

Not Available

TEST

26.4 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

137 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

137 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

2.72e-01 (4)

1.83e-01

9.79e-02 to 6.23e-01

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.83e-01 mmHg

Not Available

Available

ACD/Labs

1.84e-01 mmHg

Not Available

Not Available

OPERA

6.23e-01 mmHg

OPERA Model Report

Available

TEST

9.79e-02 mmHg

TEST Report

Not Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

1.72 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

1.72 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

5.25 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.25

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

9.90e-04 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.90e-04 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.43 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.43

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

54.5 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

54.5 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

212 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

212 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

21.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

21.6 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

585 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

7.01e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

5.16 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

3.06 (1)

- - - -

days

Bioconcentration Factor

-

63.6 (3)

-

68.9

-

8.41 to 113

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

585 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

585 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

7.01e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.01e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

5.16 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.16 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

3.06 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.06 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

63.6 (3)

68.9

8.41 to 113

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

8.41

Not Available

Available

OPERA

113

OPERA Model Report

Available

TEST

68.9

TEST Report

Not Available

Found 4 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
1-Decene, 10-methoxy-
10-Methoxydec-1-ene
72928-41-7 Active CAS-RN
10-Methoxy-1-decene
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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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