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Hydrazinecarboxaldehyde, 2-(4-methylphenyl)-
38577-24-1 | DTXSID9068114

Searched by CAS-RN: Found 1 result for '38577-24-1'.

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Intrinsic Properties

Molecular Formula: C8H10N2O

Average Mass: 150.181 g/mol

Monoisotopic Mass: 150.079313 g/mol

Structural Identifiers

IUPAC Name: N'-(4-Methylphenyl)formohydrazide

SMILES: CC1=CC=C(NNC=O)C=C1

InChI String: InChI=1S/C8H10N2O/c1-7-2-4-8(5-3-7)10-9-6-11/h2-6,10H,1H3,(H,9,11)

InChIKey: DDPJROKUKMXGPW-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/DTXSID9068114 (accessed May 21, 2018), Hydrazinecarboxaldehyde, 2-(4-methylphenyl)-

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

SRS/ChemID matched; SRS trust index 3

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

1.10 (5)

-

1.13

-

7.33e-01 to 1.44

-

Water Solubility

-

6.85e-01 (4)

-

6.81e-02

-

1.06e-02 to 2.59

mol/L

Density

-

1.14 (2)

-

1.14

-

1.13 to 1.14

g/cm^3

Flash Point

-

111 (2)

-

111

-

106 to 115

°C

Melting Point

-

105 (4)

-

111

-

71.3 to 127

°C

Boiling Point

-

295 (5)

-

301

-

245 to 328

°C

Surface Tension

-

45.3 (1)

- - - -

dyn/cm

Vapor Pressure

-

7.91e-03 (4)

-

8.71e-04

-

7.23e-06 to 2.99e-02

mmHg

LogKoa: Octanol-Air

-

7.84 (1)

- - - - -

Henry's Law

-

1.42e-08 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.59 (1)

- - - - -

Molar Refractivity

-

44.5 (1)

- - - -

cm^3

Molar Volume

-

131 (1)

- - - -

cm^3

Polarizability

-

17.6 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

1.10 (5)

1.13

7.33e-01 to 1.44

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

0.84

Not Available

Not Available

NICEATM

7.33e-01

Not Available

Available

ACD/Labs Consensus

1.13

Not Available

Not Available

ACD/Labs

1.44

Not Available

Not Available

OPERA

1.35

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

6.85e-01 (4)

6.81e-02

1.06e-02 to 2.59

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

9.76e-02 mol/L

Not Available

Not Available

NICEATM

2.59 mol/L

Not Available

Available

OPERA

1.06e-02 mol/L

OPERA Model Report

Available

TEST

3.85e-02 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.14 (2)

1.14

1.13 to 1.14

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.14 g/cm^3

Not Available

Not Available

TEST

1.13 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

111 (2)

111

106 to 115

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

106 °C

Not Available

Not Available

TEST

115 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

105 (4)

111

71.3 to 127

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

115 °C

Not Available

Not Available

NICEATM

107 °C

Not Available

Available

OPERA

127 °C

OPERA Model Report

Available

TEST

71.3 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

295 (5)

301

245 to 328

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

328 °C

Not Available

Not Available

NICEATM

322 °C

Not Available

Available

ACD/Labs

245 °C

Not Available

Not Available

OPERA

301 °C

OPERA Model Report

Available

TEST

278 °C

TEST Report

Not Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

45.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

45.3 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

7.91e-03 (4)

8.71e-04

7.23e-06 to 2.99e-02

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.69e-03 mmHg

Not Available

Available

ACD/Labs

2.99e-02 mmHg

Not Available

Not Available

OPERA

5.21e-05 mmHg

OPERA Model Report

Available

TEST

7.23e-06 mmHg

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

7.84 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.84

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.42e-08 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.42e-08 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.59 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.59

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

44.5 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

44.5 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

131 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

131 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

17.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

17.6 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

39.1 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.50e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.56 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.27e-01 (1)

- - - -

days

Bioconcentration Factor

-

3.47 (3)

-

3.42

-

3.05 to 3.94

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

39.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

39.1 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.50e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.50e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.56 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.56 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.27e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.27e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

3.47 (3)

3.42

3.05 to 3.94

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

3.94

Not Available

Available

OPERA

3.42

OPERA Model Report

Available

TEST

3.05

TEST Report

Not Available

Found 4 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Hydrazinecarboxaldehyde, 2-(4-methylphenyl)-
N'-(4-Methylphenyl)formohydrazide
Hydrazine, 1-formyl-2-(4-methylphenyl)-
38577-24-1 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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Executive Summary

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