Success!

Failed to copy.

Acrylamide
79-06-1 | DTXSID5020027

Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID5020027'.

Image not found
Wikipedia
Imgnotfound
Intrinsic Properties

Molecular Formula: C3H5NO

Average Mass: 71.079 g/mol

Monoisotopic Mass: 71.037114 g/mol

Structural Identifiers

IUPAC Name: Prop-2-enamide

SMILES: NC(=O)C=C

InChI String: InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)

InChIKey: HRPVXLWXLXDGHG-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID5020027 (accessed July 20, 2018), Acrylamide

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

-0.670 (1)

-0.719 (5)

-

-0.711

-0.670

-0.810 to -0.624

-

Water Solubility

9.00 (1)

5.50 (4)

-

4.88

9.00

2.46 to 9.79

mol/L

Density

-

9.72e-01 (2)

-

9.72e-01

-

9.61e-01 to 9.82e-01

g/cm^3

Flash Point

-

73.9 (2)

-

73.9

-

68.8 to 79.0

°C

Melting Point

84.4 (8)

53.0 (4)

84.5

52.0

83.5 to 86.0

21.7 to 86.2

°C

Boiling Point

170 (4)

204 (5)

159

201

125 to 238

188 to 232

°C

Surface Tension

-

31.1 (1)

- - - -

dyn/cm

Thermal Conductivity

-

195 (1)

- - - -

mW/(m*K)

Vapor Pressure

7.00e-03 (1)

6.78e-02 (4)

-

6.00e-02

7.00e-03

1.36e-02 to 1.38e-01

mmHg

Viscosity

-

2.40 (1)

- - - -

cP

LogKoa: Octanol-Air

-

4.29 (1)

- - - - -

Henry's Law

-

2.62e-08 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.43 (1)

- - - - -

Molar Refractivity

-

19.2 (1)

- - - -

cm^3

Molar Volume

-

73.9 (1)

- - - -

cm^3

Polarizability

-

7.63 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

-0.670 (1)

-

-0.670

Predicted

-0.719 (5)

-0.711

-0.810 to -0.624

Experimental

Source

Result

PhysPropNCCT

-0.670

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-0.810

Not Available

Not Available

NICEATM

-0.624

Not Available

Available

ACD/Labs Consensus

-0.672

Not Available

Not Available

ACD/Labs

-0.780

Not Available

Not Available

OPERA

-0.711

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

9.00 (1)

-

9.00

Predicted

5.50 (4)

4.88

2.46 to 9.79

Experimental

Source

Result

PhysPropNCCT

9.00 mol/L

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

7.09 mol/L

Not Available

Not Available

NICEATM

2.46 mol/L

Not Available

Available

TEST

2.66 mol/L

TEST Report

Not Available

OPERA

9.79 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

9.72e-01 (2)

9.72e-01

9.61e-01 to 9.82e-01

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

9.61e-01 g/cm^3

Not Available

Not Available

TEST

9.82e-01 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

73.9 (2)

73.9

68.8 to 79.0

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

79.0 °C

Not Available

Not Available

TEST

68.8 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

84.4 (8)

84.5

83.5 to 86.0

Predicted

53.0 (4)

52.0

21.7 to 86.2

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

84.5 °C

Jean-Claude Bradley Open Melting Point Dataset

84.0 °C

TCI

86.0 °C

TCI

85.0 °C

Merck Millipore

84.5 °C

Alfa Aesar

83.5 °C

Alfa Aesar

83.5 °C

PhysPropNCCT

84.5 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

21.7 °C

Not Available

Not Available

NICEATM

66.8 °C

Not Available

Available

TEST

37.3 °C

TEST Report

Not Available

OPERA

86.2 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental

170 (4)

159

125 to 238

Predicted

204 (5)

201

188 to 232

Experimental

Source

Result

NIOSH

238 °C

Alfa Aesar

125 °C

Alfa Aesar

125 °C

PhysPropNCCT

193 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

196 °C

Not Available

Not Available

NICEATM

201 °C

Not Available

Available

ACD/Labs

232 °C

Not Available

Not Available

TEST

188 °C

TEST Report

Not Available

OPERA

202 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

31.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

31.1 dyn/cm

Not Available

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

195 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

195 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental

7.00e-03 (1)

-

7.00e-03

Predicted

6.78e-02 (4)

6.00e-02

1.36e-02 to 1.38e-01

Experimental

Source

Result

PhysPropNCCT

7.00e-03 mmHg

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5.85e-02 mmHg

Not Available

Available

ACD/Labs

6.14e-02 mmHg

Not Available

Not Available

TEST

1.38e-01 mmHg

TEST Report

Not Available

OPERA

1.36e-02 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

2.40 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

2.40 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

4.29 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.29

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

2.62e-08 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.62e-08 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.43 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.43

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

19.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

19.2 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

73.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

73.9 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

7.63 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

7.63 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

50.1 (1)

14.1 (2)

-

14.1

50.1

3.56 to 24.7

L/kg

Atmos. Hydroxylation Rate

-

2.19e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

5.18 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

2.72e-01 (1)

- - - -

days

Bioaccumulation Factor

-

8.97e-01 (1)

- - - - -

Bioconcentration Factor

-

1.73 (5)

-

8.97e-01

-

1.00e-01 to 3.66

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental

50.1 (1)

-

50.1

Predicted

14.1 (2)

14.1

3.56 to 24.7

Experimental

Source

Result

PhysPropNCCT

50.1 L/kg

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.56 L/kg

Not Available

Not Available

OPERA

24.7 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

2.19e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.19e-11 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

2.72e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.72e-01 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

8.97e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

8.97e-01

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1.73 (5)

8.97e-01

1.00e-01 to 3.66

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

8.97e-01

Not Available

Not Available

EPISUITE

3.16

Not Available

Not Available

NICEATM

1.00e-01

Not Available

Available

TEST

8.28e-01

TEST Report

Not Available

OPERA

3.66

OPERA Model Report

Available

Found 31 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Acrylamide
Prop-2-enamide
2-Propenamide
79-06-1 Active CAS-RN
2-Propenamide
2-Propene amide
acrilamida
Acrylamid
Acrylamide monomer
Acrylic acid amide
Acrylic amide
Bio-Acrylamide 50
Ethylenecarboxamide
NSC 7785
Propenamide
UN 2074
UN3426
Vinyl amide
Acrylagel
Amresco Acryl-40
BRN 0605349
EINECS 201-173-7
Optimum
Propeneamide
Propenoic acid amide
RCRA waste number U007
Akrylamid
Amid kyseliny akrylove
UNII-20R035KLCI FDA Registry Number
prop-2-enamide
1198293-68-3 Deleted CAS-RN
Imgnotfound
Imgnotfound
Imgnotfound
Imgnotfound
Print Page

Toxics Release Inventory


National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

7285th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

3.38e-08

4.65e-06

Ages 12-19

3.84e-08

4.64e-06

Ages 20-65

1.96e-08

2.49e-06

Ages 65+

1.92e-08

3.28e-06

BMI > 30

2.38e-08

3.52e-06

BMI < 30

2.20e-08

2.50e-06

Repro. Age Females

1.80e-08

2.19e-06

Females

1.37e-08

2.08e-06

Males

1.98e-08

2.95e-06

Total

2.62e-08

4.14e-06

Imgnotfound

PubChem Articles

Select Term:

AND

AND

Edit the Query Before Querying ()

You have hit the max of 255 characters for this query.

PubChem Patents

Loading Image

Searched with a similarity threshold of 0.8

Imgnotfound