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Ethyldioxy, 2-chloro-2,2-difluoro-
134469-99-1 | DTXSID1074125

Searched by CAS-RN: Found 1 result for '134469-99-1'.

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Intrinsic Properties

Molecular Formula: C2H2ClF2O2

Average Mass: 131.48 g/mol

Monoisotopic Mass: 130.971138 g/mol

Structural Identifiers

IUPAC Name: (2-Chloro-2,2-difluoroethyl)dioxidanyl

SMILES: [O]OCC(F)(F)Cl

InChI String: InChI=1S/C2H2ClF2O2/c3-2(4,5)1-7-6/h1H2

InChIKey: QTXXRGIDDLRILI-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/DTXSID1074125 (accessed July 19, 2018), Ethyldioxy, 2-chloro-2,2-difluoro-

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 1

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

1.12 (5)

-

1.49

-

-0.128 to 1.75

-

Water Solubility

-

2.44 (4)

-

1.02

-

1.43e-01 to 7.60

mol/L

Density

-

1.30 (2)

-

1.30

-

1.08 to 1.51

g/cm^3

Flash Point

-

47.0 (2)

-

47.0

-

38.3 to 55.7

°C

Melting Point

-

-18.3 (4)

-

-19.2

-

-38.6 to 4.05

°C

Boiling Point

-

104 (4)

-

95.9

-

85.9 to 140

°C

Surface Tension

-

27.4 (1)

- - - -

dyn/cm

Vapor Pressure

-

70.7 (3)

-

3.96

-

2.62 to 205

mmHg

LogKoa: Octanol-Air

-

3.66 (1)

- - - - -

Henry's Law

-

8.20e-06 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.37 (1)

- - - - -

Molar Refractivity

-

19.7 (1)

- - - -

cm^3

Molar Volume

-

87.7 (1)

- - - -

cm^3

Polarizability

-

7.82 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

1.12 (5)

1.49

-0.128 to 1.75

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

0.8

Not Available

Not Available

NICEATM

-0.128

Not Available

Available

ACD/Labs Consensus

1.69

Not Available

Not Available

ACD/Labs

1.75

Not Available

Not Available

OPERA

1.49

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

2.44 (4)

1.02

1.43e-01 to 7.60

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.43e-01 mol/L

Not Available

Not Available

NICEATM

1.79 mol/L

Not Available

Available

TEST

2.43e-01 mol/L

TEST Report

Not Available

OPERA

7.60 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.30 (2)

1.30

1.08 to 1.51

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.51 g/cm^3

Not Available

Not Available

TEST

1.08 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

47.0 (2)

47.0

38.3 to 55.7

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

38.3 °C

Not Available

Not Available

TEST

55.7 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

-18.3 (4)

-19.2

-38.6 to 4.05

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-38.6 °C

Not Available

Not Available

NICEATM

-16.8 °C

Not Available

Available

TEST

-21.7 °C

TEST Report

Not Available

OPERA

4.05 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

104 (4)

95.9

85.9 to 140

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

94.4 °C

Not Available

Not Available

NICEATM

85.9 °C

Not Available

Available

ACD/Labs

140 °C

Not Available

Not Available

OPERA

97.4 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

27.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

27.4 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

70.7 (3)

3.96

2.62 to 205

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

205 mmHg

Not Available

Available

ACD/Labs

2.62 mmHg

Not Available

Not Available

OPERA

3.96 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

3.66 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.66

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

8.20e-06 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.20e-06 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.37 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.37

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

19.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

19.7 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

87.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

87.7 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

7.82 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

7.82 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

4.42 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

7.08e-14 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

5.18 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

2.51e-01 (1)

- - - -

days

Bioconcentration Factor

-

2.81 (2)

-

2.81

-

1.06 to 4.57

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

4.42 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.42 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

7.08e-14 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.08e-14 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

5.18 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.18 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

2.51e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.51e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

2.81 (2)

2.81

1.06 to 4.57

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.06

Not Available

Available

OPERA

4.57

OPERA Model Report

Available

Found 3 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Ethyldioxy, 2-chloro-2,2-difluoro-
(2-Chloro-2,2-difluoroethyl)dioxidanyl
134469-99-1 Active CAS-RN
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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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