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Acrylic acid
79-10-7 | DTXSID0039229

Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID0039229'.

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Intrinsic Properties

Molecular Formula: C3H4O2

Average Mass: 72.063 g/mol

Monoisotopic Mass: 72.021129 g/mol

Structural Identifiers

IUPAC Name: Prop-2-enoic acid

SMILES: OC(=O)C=C

InChI String: InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)

InChIKey: NIXOWILDQLNWCW-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/DTXSID0039229 (accessed April 22, 2018), Acrylic acid

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

0.35 (1)

3.58e-01 (5)

-

3.58e-01

0.35

2.79e-01 to 0.44

-

Water Solubility

13.9 (1)

4.66 (4)

-

2.99

13.9

2.33 to 10.3

mol/L

Density

-

1.06 (2)

-

1.06

-

1.05 to 1.06

g/cm^3

Flash Point

-

56.5 (2)

-

56.5

-

54.4 to 58.5

°C

Melting Point

13.0 (7)

13.9 (4)

13.0

13.0

12.5 to 13.5

-10.4 to 40.2

°C

Boiling Point

140 (4)

146 (5)

140

144

139 to 141

141 to 156

°C

Surface Tension

-

30.1 (2)

-

30.1

-

27.3 to 32.9

dyn/cm

Thermal Conductivity

-

155 (1)

- - - -

mW/(m*K)

Vapor Pressure

3.97 (1)

2.25 (4)

-

2.05

3.97

1.46 to 3.42

mmHg

Viscosity

-

1.29 (1)

- - - -

cP

LogKoa: Octanol-Air

-

3.82 (1)

- - - - -

Henry's Law

-

2.00e-07 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.42 (1)

- - - - -

Molar Refractivity

-

17.2 (1)

- - - -

cm^3

Molar Volume

-

67.8 (1)

- - - -

cm^3

Polarizability

-

6.83 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

0.35 (1)

-

0.35

Predicted

3.58e-01 (5)

3.58e-01

2.79e-01 to 0.44

Experimental

Source

Result

PhysPropNCCT

0.35

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

0.44

Not Available

Not Available

NICEATM

3.04e-01

Not Available

Available

ACD/Labs Consensus

0.41

Not Available

Not Available

ACD/Labs

2.79e-01

Not Available

Not Available

OPERA

3.58e-01

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

13.9 (1)

-

13.9

Predicted

4.66 (4)

2.99

2.33 to 10.3

Experimental

Source

Result

PhysPropNCCT

13.9 mol/L

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.33 mol/L

Not Available

Not Available

NICEATM

3.13 mol/L

Not Available

Available

TEST

2.85 mol/L

TEST Report

Not Available

OPERA

10.3 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.06 (2)

1.06

1.05 to 1.06

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.06 g/cm^3

Not Available

Not Available

TEST

1.05 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

56.5 (2)

56.5

54.4 to 58.5

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

54.4 °C

Not Available

Not Available

TEST

58.5 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

13.0 (7)

13.0

12.5 to 13.5

Predicted

13.9 (4)

13.0

-10.4 to 40.2

Experimental

Source

Result

NIOSH

12.8 °C

Jean-Claude Bradley Open Melting Point Dataset

13.5 °C

Jean-Claude Bradley Open Melting Point Dataset

12.5 °C

Jean-Claude Bradley Open Melting Point Dataset

13.0 °C

Alfa Aesar

13.0 °C

Alfa Aesar

13.0 °C

PhysPropNCCT

13.5 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-10.4 °C

Not Available

Not Available

NICEATM

40.2 °C

Not Available

Available

TEST

7.30 °C

TEST Report

Not Available

OPERA

18.7 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental

140 (4)

140

139 to 141

Predicted

146 (5)

144

141 to 156

Experimental

Source

Result

NIOSH

141 °C

Alfa Aesar

139 °C

Alfa Aesar

139 °C

PhysPropNCCT

141 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

143 °C

Not Available

Not Available

NICEATM

144 °C

Not Available

Available

ACD/Labs

141 °C

Not Available

Not Available

TEST

144 °C

TEST Report

Not Available

OPERA

156 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

30.1 (2)

30.1

27.3 to 32.9

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

32.9 dyn/cm

Not Available

Not Available

TEST

27.3 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

155 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

155 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental

3.97 (1)

-

3.97

Predicted

2.25 (4)

2.05

1.46 to 3.42

Experimental

Source

Result

PhysPropNCCT

3.97 mmHg

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.87 mmHg

Not Available

Available

ACD/Labs

3.42 mmHg

Not Available

Not Available

TEST

2.22 mmHg

TEST Report

Not Available

OPERA

1.46 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

1.29 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

1.29 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

3.82 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.82

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

2.00e-07 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.00e-07 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.42 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.42

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

17.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

17.2 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

67.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

67.8 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

6.83 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

6.83 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

5.08 (2)

-

5.08

-

2.23 to 7.92

L/kg

Atmos. Hydroxylation Rate

-

1.74e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.27 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

2.19e-01 (1)

- - - -

days

Bioaccumulation Factor

-

1.09 (1)

- - - - -

Bioconcentration Factor

-

1.92 (5)

-

1.09

-

2.00e-01 to 4.42

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

5.08 (2)

5.08

2.23 to 7.92

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.23 L/kg

Not Available

Not Available

OPERA

7.92 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.74e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.74e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.27 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.27 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

2.19e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.19e-01 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

1.09 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.09

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1.92 (5)

1.09

2.00e-01 to 4.42

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.09

Not Available

Not Available

EPISUITE

3.16

Not Available

Not Available

NICEATM

2.00e-01

Not Available

Available

TEST

7.08e-01

TEST Report

Not Available

OPERA

4.42

OPERA Model Report

Available

Found 36 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Acrylic acid
Prop-2-enoic acid
2-Propenoic acid
79-10-7 Active CAS-RN
2-Propenoic acid
Acroleic acid
LX 300 (crosslinking agent)
4-02-00-01455 Beilstein Registry Number
Acide acrylique
acido acrilico
ACRYLSAEURE
Acrylsaure
Ethylenecarboxylic acid
Glacial Acrylic Acid
NSC 4765
Propenoic acid
UN 2218
Vinylformic acid
Acrylic acid, glacial
BRN 0635743
Caswell No. 009A
EINECS 201-177-9
Propene acid
RCRA waste number U008
Acido acrilio
Kyselina akrylova
UNII-J94PBK7X8S FDA Registry Number
55927-87-2 Deleted CAS-RN
166941-59-9 Deleted CAS-RN
211862-52-1 Deleted CAS-RN
1265528-53-7 Deleted CAS-RN
1453489-99-0 Deleted CAS-RN
1644624-02-1 Deleted CAS-RN
1703019-10-6 Deleted CAS-RN
1873349-31-5 Deleted CAS-RN
2015239-27-5 Deleted CAS-RN
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Toxics Release Inventory


National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

6936th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

5.85e-08

9.26e-06

Ages 12-19

5.54e-08

7.59e-06

Ages 20-65

3.83e-08

8.71e-06

Ages 65+

4.13e-08

9.71e-06

BMI > 30

3.72e-08

4.71e-06

BMI < 30

3.71e-08

5.58e-06

Repro. Age Females

2.56e-08

2.91e-06

Females

2.38e-08

4.37e-06

Males

3.71e-08

7.59e-06

Total

4.35e-08

9.98e-06

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