Methane
- Formula: CH4
- Molecular weight: 16.0425
- IUPAC Standard InChI: InChI=1S/CH4/h1H4
- IUPAC Standard InChIKey: VNWKTOKETHGBQD-UHFFFAOYSA-N
- CAS Registry Number: 74-82-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Marsh gas; Methyl hydride; CH4; Fire Damp; R 50; Biogas; R 50 (refrigerant)
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Henry's Law data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
| k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 0.0014 | 1600. | L | N/A | The parameterization given by missing citation (parameters A, B, C) doesn't fit the data in the same paper for this substance. Therefore the parameteriztaion of the solubility data (X1) was recalculated. |
| 0.0013 | 1900. | Q | N/A | Only the tabulated data between T = 273. K and T = 303. K from missing citation was used to derive kH and -Δ kH/R. Above T = 303. K the tabulated data could not be parameterized by equation (reference missing) very well. The partial pressure of water vapor (needed to convert some Henry's law constants) was calculated using the formula given by missing citation. The quantities A and α from missing citation were assumed to be identical. |
| 0.0015 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
| 0.0013 | L | N/A | ||
| 0.0013 | 1800. | X | N/A | |
| 0.0014 | 1700. | L | N/A | |
| 0.0015 | V | N/A | ||
| 0.00097 | C | N/A | ||
| 0.0014 | R | N/A | ||
| 0.0092 | V | N/A |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
| NIST MS number | 61313 |
Vibrational and/or electronic energy levels
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: Td Symmetry Number σ = 12
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | Sym str | 2917 | A | ia | 2917.0 | gas | |||
| e | 2 | Deg deform | 1534 | A | 1533 ia | gas | 1533.6 | Observed through Coriolis interaction with ν4 | ||
| f2 | 3 | Deg str | 3019 | A | 3018.9 | gas | 3019.5 | |||
| f2 | 4 | Deg deform | 1306 | C | 1306.2 | gas | ||||
Source: Shimanouchi, 1972
Notes
| ia | Inactive |
| A | 0~1 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
References
Go To: Top, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
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- Symbols used in this document:
d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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