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Acetamide
60-35-5 | DTXSID7020005

Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID7020005'.

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Wikipedia
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Intrinsic Properties

Molecular Formula: C2H5NO

Average Mass: 59.068 g/mol

Monoisotopic Mass: 59.037114 g/mol

Structural Identifiers

IUPAC Name: Acetamide

SMILES: CC(N)=O

InChI String: InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)

InChIKey: DLFVBJFMPXGRIB-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/DTXSID7020005 (accessed April 22, 2018), Acetamide

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

-1.26 (1)

-1.18 (5)

-

-1.23

-1.26

-1.26 to -1.01

-

Water Solubility

38.1 (1)

13.9 (3)

-

18.5

38.1

4.20 to 19.0

mol/L

Density

-

9.58e-01 (2)

-

9.58e-01

-

9.47e-01 to 0.97

g/cm^3

Flash Point

-

69.7 (2)

-

69.7

-

49.3 to 90.1

°C

Melting Point

79.8 (9)

47.4 (4)

80.0

49.1

78.5 to 81.0

11.0 to 80.3

°C

Boiling Point

222 (4)

190 (5)

222

199

221 to 222

135 to 221

°C

Surface Tension

-

29.9 (1)

- - - -

dyn/cm

Thermal Conductivity

-

217 (1)

- - - -

mW/(m*K)

Vapor Pressure

4.00e-02 (1)

7.53e-02 (4)

-

8.21e-02

4.00e-02

2.80e-02 to 1.09e-01

mmHg

Viscosity

-

2.39 (1)

- - - -

cP

LogKoa: Octanol-Air

-

4.24 (1)

- - - - -

Henry's Law

-

9.18e-08 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.39 (1)

- - - - -

Molar Refractivity

-

14.9 (1)

- - - -

cm^3

Molar Volume

-

62.3 (1)

- - - -

cm^3

Polarizability

-

5.90 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

-1.26 (1)

-

-1.26

Predicted

-1.18 (5)

-1.23

-1.26 to -1.01

Experimental

Source

Result

PhysPropNCCT

-1.26

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-1.16

Not Available

Not Available

NICEATM

-1.26

Not Available

Available

ACD/Labs Consensus

-1.01

Not Available

Not Available

ACD/Labs

-1.23

Not Available

Not Available

OPERA

-1.23

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

38.1 (1)

-

38.1

Predicted

13.9 (3)

18.5

4.20 to 19.0

Experimental

Source

Result

PhysPropNCCT

38.1 mol/L

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

18.5 mol/L

Not Available

Available

TEST

4.20 mol/L

TEST Report

Not Available

OPERA

19.0 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

9.58e-01 (2)

9.58e-01

9.47e-01 to 0.97

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

9.47e-01 g/cm^3

Not Available

Not Available

TEST

0.97 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

69.7 (2)

69.7

49.3 to 90.1

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

90.1 °C

Not Available

Not Available

TEST

49.3 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

79.8 (9)

80.0

78.5 to 81.0

Predicted

47.4 (4)

49.1

11.0 to 80.3

Boiling Point

Average

Median

Range

Experimental

222 (4)

222

221 to 222

Predicted

190 (5)

199

135 to 221

Experimental

Source

Result

Oxford University Chemical Safety Data (No longer updated)

222 °C

Alfa Aesar

221 °C

Alfa Aesar

221 °C

PhysPropNCCT

222 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

177 °C

Not Available

Not Available

NICEATM

199 °C

Not Available

Available

ACD/Labs

221 °C

Not Available

Not Available

TEST

135 °C

TEST Report

Not Available

OPERA

218 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

29.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

29.9 dyn/cm

Not Available

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

217 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

217 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental

4.00e-02 (1)

-

4.00e-02

Predicted

7.53e-02 (4)

8.21e-02

2.80e-02 to 1.09e-01

Experimental

Source

Result

PhysPropNCCT

4.00e-02 mmHg

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

8.20e-02 mmHg

Not Available

Available

ACD/Labs

1.09e-01 mmHg

Not Available

Not Available

TEST

8.22e-02 mmHg

TEST Report

Not Available

OPERA

2.80e-02 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

2.39 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

2.39 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

4.24 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.24

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

9.18e-08 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.18e-08 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.39 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.39

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

14.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

14.9 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

62.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

62.3 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

5.90 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

5.90 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

5.01 (1)

3.08 (2)

-

3.08

5.01

1.67 to 4.49

L/kg

Atmos. Hydroxylation Rate

-

1.09e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.59 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.31e-01 (1)

- - - -

days

Bioaccumulation Factor

-

8.94e-01 (1)

- - - - -

Bioconcentration Factor

-

1.48 (5)

-

8.94e-01

-

4.13e-01 to 3.16

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental

5.01 (1)

-

5.01

Predicted

3.08 (2)

3.08

1.67 to 4.49

Experimental

Source

Result

PhysPropNCCT

5.01 L/kg

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.67 L/kg

Not Available

Not Available

OPERA

4.49 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.09e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.09e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.59 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.59 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.31e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.31e-01 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

8.94e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

8.94e-01

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1.48 (5)

8.94e-01

4.13e-01 to 3.16

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

8.94e-01

Not Available

Not Available

EPISUITE

3.16

Not Available

Not Available

NICEATM

4.13e-01

Not Available

Available

TEST

6.37e-01

TEST Report

Not Available

OPERA

2.30

OPERA Model Report

Available

Found 23 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Acetamide
60-35-5 Active CAS-RN
4-02-00-00399 Beilstein Registry Number
Acetamid
acetamida
Acetic acid amide
Acetimidic acid
Ethanamide
Ethanimidic acid
Methanecarboxamide
NSC 25945
BRN 1071207
Caswell No. 003H
EINECS 200-473-5
NCI-C02108
UNII-8XOE1JSO29 FDA Registry Number
ACM
Acetimidic acid (van)
Amid kyseliny octove
Azetamid
CH3CONH2
Essigsaeureamid
Ethanamid
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Toxics Release Inventory


National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

7783rd highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

2.90e-09

3.73e-07

Ages 12-19

4.73e-09

2.72e-07

Ages 20-65

3.87e-09

3.42e-07

Ages 65+

1.96e-09

2.98e-07

BMI > 30

3.05e-09

2.70e-07

BMI < 30

3.61e-09

2.50e-07

Repro. Age Females

3.25e-09

3.86e-07

Females

2.83e-09

2.76e-07

Males

2.14e-09

1.92e-07

Total

2.96e-09

3.02e-07

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