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Tetracyanoethylene
670-54-2 | DTXSID7049425

Searched by CAS-RN: Found 1 result for '670-54-2'.

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Intrinsic Properties

Molecular Formula: C6N4

Average Mass: 128.094 g/mol

Monoisotopic Mass: 128.012296 g/mol

Structural Identifiers

IUPAC Name: Ethene-1,1,2,2-tetracarbonitrile

SMILES: N#CC(C#N)=C(C#N)C#N

InChI String: InChI=1S/C6N4/c7-1-5(2-8)6(3-9)4-10

InChIKey: NLDYACGHTUPAQU-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/DTXSID7049425 (accessed June 21, 2018), Tetracyanoethylene

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

No Quality Control Notes.

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

-0.370 (5)

-

-0.207

-

-1.64 to 3.64e-01

-

Water Solubility

-

2.90e-01 (3)

-

1.45e-01

-

2.17e-02 to 7.03e-01

mol/L

Density

-

1.32 (2)

-

1.32

-

1.29 to 1.36

g/cm^3

Flash Point

-

136 (2)

-

136

-

94.4 to 178

°C

Melting Point

199 (1)

140 (4)

-

131

199

103 to 194

°C

Boiling Point

-

270 (4)

-

252

-

220 to 355

°C

Surface Tension

-

81.7 (1)

- - - -

dyn/cm

Vapor Pressure

-

3.52e-01 (3)

-

4.32e-01

-

1.17e-01 to 5.07e-01

mmHg

LogKoa: Octanol-Air

-

5.76 (1)

- - - - -

Henry's Law

-

2.50e-10 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.53 (1)

- - - - -

Molar Refractivity

-

29.2 (1)

- - - -

cm^3

Molar Volume

-

94.3 (1)

- - - -

cm^3

Polarizability

-

11.6 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

-0.370 (5)

-0.207

-1.64 to 3.64e-01

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-0.290

Not Available

Not Available

NICEATM

3.64e-01

Not Available

Available

ACD/Labs Consensus

-0.0840

Not Available

Not Available

ACD/Labs

-1.64

Not Available

Not Available

OPERA

-0.207

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

2.90e-01 (3)

1.45e-01

2.17e-02 to 7.03e-01

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

7.03e-01 mol/L

Not Available

Not Available

NICEATM

2.17e-02 mol/L

Not Available

Available

OPERA

1.45e-01 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.32 (2)

1.32

1.29 to 1.36

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.36 g/cm^3

Not Available

Not Available

TEST

1.29 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

136 (2)

136

94.4 to 178

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

94.4 °C

Not Available

Not Available

TEST

178 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

199 (1)

-

199

Predicted

140 (4)

131

103 to 194

Experimental

Source

Result

PhysPropNCCT

199 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

103 °C

Not Available

Not Available

NICEATM

118 °C

Not Available

Available

TEST

144 °C

TEST Report

Not Available

OPERA

194 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

270 (4)

252

220 to 355

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

355 °C

Not Available

Not Available

NICEATM

234 °C

Not Available

Available

ACD/Labs

220 °C

Not Available

Not Available

OPERA

270 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

81.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

81.7 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

3.52e-01 (3)

4.32e-01

1.17e-01 to 5.07e-01

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5.07e-01 mmHg

Not Available

Available

ACD/Labs

1.17e-01 mmHg

Not Available

Not Available

OPERA

4.32e-01 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

5.76 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.76

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

2.50e-10 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.50e-10 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.53 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.53

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

29.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

29.2 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

94.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

94.3 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

11.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

11.6 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

8.56 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

2.66e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

7.60 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.50e-01 (1)

- - - -

days

Bioconcentration Factor

-

31.3 (2)

-

31.3

-

1.21 to 61.3

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

8.56 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.56 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

2.66e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.66e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

7.60 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.60 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.50e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.50e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

31.3 (2)

31.3

1.21 to 61.3

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

61.3

Not Available

Available

OPERA

1.21

OPERA Model Report

Available

Found 23 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Tetracyanoethylene
Ethene-1,1,2,2-tetracarbonitrile
1,1,2,2-Ethenetetracarbonitrile
670-54-2 Active CAS-RN
Ethenetetracarbonitrile
1,1,2,2-Ethenetetracarbonitrile
1,1,2,2-Tetracyanoethene
1,1,2,2-Tetracyanoethylene
Ethene, tetracyano-
ETHYLENE, TETRACYANO-
Ethylenetetracarbonitrile
Ethylentetracarbonitril
etilenotetracarbonitrilo
NSC 24833
Tetracyanoethene
Δ2,2'-Bimalononitrile
delta2,2'-Bimalononitrile
EINECS 211-578-0
delta(sup 2,2')-Bimalononitrile
Tetrakyanethylen
UNII-C592309ECU FDA Registry Number
51778-96-2 Deleted CAS-RN
56875-27-5 Deleted CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

5793rd highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

1.37e-07

9.07e-06

Ages 12-19

9.82e-08

7.02e-06

Ages 20-65

9.32e-08

6.15e-06

Ages 65+

8.76e-08

7.28e-06

BMI > 30

7.11e-08

7.52e-06

BMI < 30

9.17e-08

7.19e-06

Repro. Age Females

9.43e-08

8.58e-06

Females

7.59e-08

8.15e-06

Males

8.43e-08

4.38e-06

Total

1.02e-07

6.49e-06

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