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Methane
74-82-8 | DTXSID8025545

Searched by Approved Name: Found 1 result for 'Methane'.

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Intrinsic Properties

Molecular Formula: CH4

Average Mass: 16.043 g/mol

Monoisotopic Mass: 16.031300 g/mol

Structural Identifiers

IUPAC Name: Methane

InChI String: InChI=1S/CH4/h1H4

InChIKey: VNWKTOKETHGBQD-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/DTXSID8025545 (accessed April 24, 2018), Methane

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

-

6.26e-01 (5)

-

0.78

-

-0.461 to 1.09

-

Water Solubility

1.37e-03 (1)

1.67e-01 (3)

-

1.63e-01

1.37e-03

6.97e-03 to 3.33e-01

mol/L

Flash Point

-

-228 (1)

- - - -

°C

Melting Point

-38.2 (8)

-149 (3)

-182

-153

-183 to 255

-177 to -117

°C

Boiling Point

-163 (2)

-103 (4)

-163

-101

-164 to -162

-164 to -44.5

°C

Vapor Pressure

466000 (1)

93600 (3)

-

69700

466000

5820 to 205000

mmHg

LogKoa: Octanol-Air

-0.380 (1)

1.72e-03 (1)

- - - - -

Henry's Law

-

6.28e-02 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

6.26e-01 (5)

0.78

-0.461 to 1.09

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

0.78

Not Available

Not Available

NICEATM

7.02e-01

Not Available

Available

ACD/Labs Consensus

1.02

Not Available

Not Available

ACD/Labs

1.09

Not Available

Not Available

OPERA

-0.461

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

1.37e-03 (1)

-

1.37e-03

Predicted

1.67e-01 (3)

1.63e-01

6.97e-03 to 3.33e-01

Experimental

Source

Result

PhysPropNCCT

1.37e-03 mol/L

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.63e-01 mol/L

Not Available

Not Available

NICEATM

3.33e-01 mol/L

Not Available

Available

OPERA

6.97e-03 mol/L

OPERA Model Report

Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

-228 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

-228 °C

Not Available

Not Available

Melting Point

Average

Median

Range

Experimental

-38.2 (8)

-182

-183 to 255

Predicted

-149 (3)

-153

-177 to -117

Boiling Point

Average

Median

Range

Experimental

-163 (2)

-163

-164 to -162

Predicted

-103 (4)

-101

-164 to -44.5

Experimental

Source

Result

Oxford University Chemical Safety Data (No longer updated)

-164 °C

PhysPropNCCT

-162 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-62.4 °C

Not Available

Not Available

NICEATM

-44.5 °C

Not Available

Available

ACD/Labs

-164 °C

Not Available

Not Available

OPERA

-139 °C

OPERA Model Report

Available

Vapor Pressure

Average

Median

Range

Experimental

466000 (1)

-

466000

Predicted

93600 (3)

69700

5820 to 205000

Experimental

Source

Result

PhysPropNCCT

466000 mmHg

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5820 mmHg

Not Available

Available

ACD/Labs

205000 mmHg

Not Available

Not Available

OPERA

69700 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental

-0.380 (1)

-

-
Predicted

1.72e-03 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

-0.380

Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.72e-03

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

6.28e-02 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.28e-02 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

6.01 (2)

-

6.01

-

3.18 to 8.83

L/kg

Atmos. Hydroxylation Rate

6.86e-15 (1)

6.78e-15 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

21.2 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.66e-01 (1)

- - - -

days

Bioaccumulation Factor

-

1.92 (1)

- - - - -

Bioconcentration Factor

-

13.4 (4)

-

9.21

-

1.92 to 33.2

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

6.01 (2)

6.01

3.18 to 8.83

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

8.83 L/kg

Not Available

Not Available

OPERA

3.18 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental

6.86e-15 (1)

-

-
Predicted

6.78e-15 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

6.86e-15 cm3/molecule*sec

Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.78e-15 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

21.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

21.2 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.66e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.66e-01 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

1.92 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.92

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

13.4 (4)

9.21

1.92 to 33.2

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.92

Not Available

Not Available

EPISUITE

2.43

Not Available

Not Available

NICEATM

33.2

Not Available

Available

OPERA

16.0

OPERA Model Report

Available

Found 16 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Methane
74-82-8 Active CAS-RN
4-01-00-00003 Beilstein Registry Number
Marsh gas
metano en estado gaseoso
Methyl hydride
UN 1971
UN 1972
BRN 1718732
EINECS 200-812-7
Fire Damp
UNII-OP0UW79H66 FDA Registry Number
CH4
Methan
metano
131452-56-7 Deleted 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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