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Morpholine, 4-tetradecyl-
25727-93-9 | DTXSID0067131

Searched by CAS-RN: Found 1 result for '25727-93-9'.

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Intrinsic Properties

Molecular Formula: C18H37NO

Average Mass: 283.5 g/mol

Monoisotopic Mass: 283.287515 g/mol

Structural Identifiers

IUPAC Name: 4-Tetradecylmorpholine

SMILES: CCCCCCCCCCCCCCN1CCOCC1

InChI String: InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20-18-16-19/h2-18H2,1H3

InChIKey: JMJDXDJTXDRLAL-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/DTXSID0067131 (accessed June 23, 2018), Morpholine, 4-tetradecyl-

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

-

5.52 (5)

-

6.04

-

2.79 to 6.59

-

Water Solubility

-

5.40e-04 (4)

-

4.47e-05

-

3.85e-06 to 2.07e-03

mol/L

Density

-

8.51e-01 (2)

-

8.51e-01

-

8.28e-01 to 8.74e-01

g/cm^3

Flash Point

-

128 (2)

-

128

-

108 to 148

°C

Melting Point

-

35.4 (4)

-

27.5

-

-16.6 to 103

°C

Boiling Point

-

338 (5)

-

329

-

320 to 366

°C

Surface Tension

-

31.1 (2)

-

31.1

-

30.8 to 31.5

dyn/cm

Thermal Conductivity

-

153 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

6.07e-06 (4)

-

3.94e-06

-

1.39e-06 to 1.50e-05

mmHg

Viscosity

-

6.10 (1)

- - - -

cP

LogKoa: Octanol-Air

-

8.61 (1)

- - - - -

Henry's Law

-

6.71e-07 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.46 (1)

- - - - -

Molar Refractivity

-

88.5 (1)

- - - -

cm^3

Molar Volume

-

324 (1)

- - - -

cm^3

Polarizability

-

35.1 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

5.52 (5)

6.04

2.79 to 6.59

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

6.04

Not Available

Not Available

NICEATM

5.58

Not Available

Available

ACD/Labs Consensus

6.59

Not Available

Not Available

ACD/Labs

6.58

Not Available

Not Available

OPERA

2.79

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

5.40e-04 (4)

4.47e-05

3.85e-06 to 2.07e-03

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.85e-06 mol/L

Not Available

Not Available

NICEATM

2.07e-03 mol/L

Not Available

Available

TEST

1.19e-05 mol/L

TEST Report

Not Available

OPERA

7.75e-05 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

8.51e-01 (2)

8.51e-01

8.28e-01 to 8.74e-01

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

8.74e-01 g/cm^3

Not Available

Not Available

TEST

8.28e-01 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

128 (2)

128

108 to 148

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

108 °C

Not Available

Not Available

TEST

148 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

35.4 (4)

27.5

-16.6 to 103

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

103 °C

Not Available

Not Available

NICEATM

41.5 °C

Not Available

Available

TEST

13.6 °C

TEST Report

Not Available

OPERA

-16.6 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

338 (5)

329

320 to 366

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

348 °C

Not Available

Not Available

NICEATM

325 °C

Not Available

Available

ACD/Labs

366 °C

Not Available

Not Available

TEST

329 °C

TEST Report

Not Available

OPERA

320 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

31.1 (2)

31.1

30.8 to 31.5

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

31.5 dyn/cm

Not Available

Not Available

TEST

30.8 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

153 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

153 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

6.07e-06 (4)

3.94e-06

1.39e-06 to 1.50e-05

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.56e-06 mmHg

Not Available

Available

ACD/Labs

1.50e-05 mmHg

Not Available

Not Available

TEST

1.39e-06 mmHg

TEST Report

Not Available

OPERA

5.32e-06 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

6.10 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

6.10 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

8.61 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.61

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

6.71e-07 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.71e-07 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.46 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.46

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

88.5 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

88.5 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

324 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

324 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

35.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

35.1 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

1310 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.93e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

8.45 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

6.39 (1)

- - - -

days

Bioconcentration Factor

-

347 (3)

-

63.1

-

8.54 to 970

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

1310 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1310 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.93e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.93e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

8.45 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.45 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

6.39 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.39 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

347 (3)

63.1

8.54 to 970

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

8.54

Not Available

Available

TEST

63.1

TEST Report

Not Available

OPERA

970

OPERA Model Report

Available

Found 4 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Morpholine, 4-tetradecyl-
4-Tetradecylmorpholine
25727-93-9 Active CAS-RN
EINECS 247-213-7
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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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Executive Summary

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