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Strontium malonate
183133-72-4 | DTXSID80171388

Searched by CAS-RN: Found 1 result for '183133-72-4'.

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Intrinsic Properties

Molecular Formula: C3H2O4Sr

Average Mass: 189.67 g/mol

Monoisotopic Mass: 189.900922 g/mol

Structural Identifiers

IUPAC Name: Strontium propanedioate

SMILES: [Sr++].[O-]C(=O)CC([O-])=O

InChI String: InChI=1S/C3H4O4.Sr/c4-2(5)1-3(6)7;/h1H2,(H,4,5)(H,6,7);/q;+2/p-2

InChIKey: LVZZABGEQTZXHP-UHFFFAOYSA-L

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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/DTXSID80171388 (accessed June 19, 2018), Strontium malonate

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

-

-0.677 (4)

-

-0.661

-

-0.853 to -0.532

-

Water Solubility

-

6.04 (3)

-

6.69

-

4.29 to 7.16

mol/L

Density

-

1.46 (1)

- - - -

g/cm^3

Flash Point

-

178 (2)

-

178

-

154 to 202

°C

Melting Point

-

122 (3)

-

113

-

99.8 to 153

°C

Boiling Point

-

301 (4)

-

289

-

239 to 387

°C

Surface Tension

-

30.5 (1)

- - - -

dyn/cm

Thermal Conductivity

-

161 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

2.83e-04 (4)

-

3.25e-04

-

4.66e-07 to 4.82e-04

mmHg

Viscosity

-

5.00 (1)

- - - -

cP

LogKoa: Octanol-Air

-

7.07 (1)

- - - - -

Henry's Law

-

5.56e-09 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

-0.677 (4)

-0.661

-0.853 to -0.532

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

-0.764

Not Available

Available

ACD/Labs Consensus

-0.532

Not Available

Not Available

ACD/Labs

-0.558

Not Available

Not Available

OPERA

-0.853

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

6.04 (3)

6.69

4.29 to 7.16

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

7.16 mol/L

Not Available

Available

OPERA

6.69 mol/L

OPERA Model Report

Available

TEST

4.29 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.46 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

1.46 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

178 (2)

178

154 to 202

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

202 °C

Not Available

Not Available

TEST

154 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

122 (3)

113

99.8 to 153

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

113 °C

Not Available

Available

OPERA

153 °C

OPERA Model Report

Available

TEST

99.8 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

301 (4)

289

239 to 387

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

260 °C

Not Available

Available

ACD/Labs

387 °C

Not Available

Not Available

OPERA

318 °C

OPERA Model Report

Available

TEST

239 °C

TEST Report

Not Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

30.5 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

30.5 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

161 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

161 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

2.83e-04 (4)

3.25e-04

4.66e-07 to 4.82e-04

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

4.82e-04 mmHg

Not Available

Available

ACD/Labs

4.66e-07 mmHg

Not Available

Not Available

OPERA

3.29e-04 mmHg

OPERA Model Report

Available

TEST

3.21e-04 mmHg

TEST Report

Not Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

5.00 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

5.00 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

7.07 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.07

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

5.56e-09 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.56e-09 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

11.6 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

8.29e-13 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.62 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.21e-01 (1)

- - - -

days

Bioconcentration Factor

-

1.56 (3)

-

3.05e-01

-

2.05e-01 to 4.17

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

11.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

11.6 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

8.29e-13 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.29e-13 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.62 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.62 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.21e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.21e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1.56 (3)

3.05e-01

2.05e-01 to 4.17

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

3.05e-01

Not Available

Available

OPERA

4.17

OPERA Model Report

Available

TEST

2.05e-01

TEST Report

Not Available

Found 4 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Strontium malonate
Strontium propanedioate
Propanedioic acid, strontium salt (1:1)
183133-72-4 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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