(2H4)methane
- Formula: CD4
- Molecular weight: 20.0671
- CAS Registry Number: 558-20-3
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Phase change data
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 89.780 | K | N/A | Clusius and Popp, 1940 | Uncertainty assigned by TRC = 0.05 K |
| Quantity | Value | Units | Method | Reference | Comment |
| Ttriple | 89.780 | K | N/A | Colwell, Gill, et al., 1963 | Uncertainty assigned by TRC = 0.001 K; Triple point measured in calorimeter with Pt resistance thermometer calibrated against vapor pressure of oxygen. |
| Ttriple | 89.79 | K | N/A | Armstrong, Brickwedde, et al., 1953 | Uncertainty assigned by TRC = 0.02 K |
| Ttriple | 89.78 | K | N/A | Clusius and Weigand, 1940 | Uncertainty assigned by TRC = 0.2 K; see property X for dP/dT for c-l equil. |
| Ttriple | 89.3 | K | N/A | Clusius, Popp, et al., 1937 | Uncertainty assigned by TRC = 0.6 K |
| Quantity | Value | Units | Method | Reference | Comment |
| Ptriple | 0.1045 | atm | N/A | Colwell, Gill, et al., 1963 | Uncertainty assigned by TRC = 0.000066 atm; Triple point measured in calorimeter with Pt resistance thermometer calibrated against vapor pressure of oxygen. |
| Ptriple | 0.1040 | atm | N/A | Armstrong, Brickwedde, et al., 1953 | Uncertainty assigned by TRC = 0.0005 atm |
| Ptriple | 0.104 | atm | N/A | Clusius, Popp, et al., 1937 | Uncertainty assigned by TRC = 0.001 atm |
| Quantity | Value | Units | Method | Reference | Comment |
| Tc | 189.2 | K | N/A | Grigor and Steele, 1968 | Uncertainty assigned by TRC = 0.17 K |
| Quantity | Value | Units | Method | Reference | Comment |
| Pc | 45.99 | atm | N/A | Grigor and Steele, 1968 | Uncertainty assigned by TRC = 0.1799 atm |
| Quantity | Value | Units | Method | Reference | Comment |
| ρc | 10.19 | mol/l | N/A | Grigor and Steele, 1968 | Uncertainty assigned by TRC = 0.04 mol/l; ~ |
Gas phase ion energetics data
Go To: Top, Phase change data, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 12.658 ± 0.015 | PI | Berkowitz, Greene, et al., 1987 | LBLHLM |
| 12.83 | PE | Brundle, Robin, et al., 1970 | RDSH |
| 12.882 ± 0.008 | PI | Nicholson, 1965 | RDSH |
| 13.1 | EI | Franklin and Munson, 1965 | RDSH |
| 12.87 ± 0.02 | PI | Dibeler, Krauss, et al., 1965 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CD2+ | 15.25 ± 0.04 | D2 | PI | Dibeler, Krauss, et al., 1965 | RDSH |
| CD3+ | 14.38 ± 0.03 | D | PI | Dibeler, Krauss, et al., 1965 | RDSH |
| D+ | 22.2 ± 0.1 | CD3 | EI | Locht, Olivier, et al., 1979 | LLK |
Vibrational and/or electronic energy levels
Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes
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 | 2109 | B | ia | 2108.9 | gas | |||
| e | 2 | Deg deform | 1092 | B | 1092 ia | gas | 1091.9 | gas | Observed through Coriolis interaction with ν4 | |
| f2 | 3 | Deg str | 2259 | A | 2259.3 | gas | 2259.3 | gas | ||
| f2 | 4 | Deg deform | 996 | B | 996.0 | gas | ||||
Source: Shimanouchi, 1972
Notes
| ia | Inactive |
| A | 0~1 cm-1 uncertainty |
| B | 1~3 cm-1 uncertainty |
References
Go To: Top, Phase change data, Gas phase ion energetics data, 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.
Clusius and Popp, 1940
Clusius, K.; Popp, L.,
The molar heats, melting heats and heats of transformation of the condensed gases cd(4) and ch(3)d,
Z. Phys. Chem., Abt. B, 1940, 46, 63. [all data]
Colwell, Gill, et al., 1963
Colwell, J.H.; Gill, E.K.; Morrison, J.A.,
Thermodynamic properties of CH4 and CD4. interpretation of the properties of the solids.,
J. Chem. Phys., 1963, 39, 635-53. [all data]
Armstrong, Brickwedde, et al., 1953
Armstrong, G.T.; Brickwedde, F.G.; Scott, R.B.,
The Vapor Pressure of the Deuteromethanes,
J. Chem. Phys., 1953, 21, 1297. [all data]
Clusius and Weigand, 1940
Clusius, K.; Weigand, K.,
Melting Curves of the Gases A, Kr, Xe, CH4, CH3D, CD4, C2H4, C2H6, COS, and PH3 to 200 Atmospheres Pressure. The Chane of Volume on Melting,
Z. Phys. Chem., Abt. B, 1940, 46, 1-37. [all data]
Clusius, Popp, et al., 1937
Clusius, K.; Popp, L.; Frank, A.,
Physica (Amsterdam), 1937, 4, 1105. [all data]
Grigor and Steele, 1968
Grigor, A.F.; Steele, W.A.,
Physical properties of fluid ch(4) and cd(4): experimental,
J. Chem. Phys., 1968, 48, 1032-1037. [all data]
Berkowitz, Greene, et al., 1987
Berkowitz, J.; Greene, J.P.; Cho, H.; Ruscic, B.,
The ionization potentials of CH4 and CD4,
J. Chem. Phys., 1987, 86, 674. [all data]
Brundle, Robin, et al., 1970
Brundle, C.R.; Robin, M.B.; Basch, H.,
Electronic energies and electronic structures of the fluoromethanes,
J. Chem. Phys., 1970, 53, 2196. [all data]
Nicholson, 1965
Nicholson, A.J.C.,
Photoionization-efficiency curves. II. False and genuine structure,
J. Chem. Phys., 1965, 43, 1171. [all data]
Franklin and Munson, 1965
Franklin, J.L.; Munson, M.S.B.,
Ion-molecule reactions in methane-oxygen and acetylene-oxygen systems,
Symp. Combust., 10th, Univ. Cambridge, Cambridge, Engl.,, 1965, 1964, 561. [all data]
Dibeler, Krauss, et al., 1965
Dibeler, V.H.; Krauss, M.; Reese, R.M.; Harllee, F.N.,
Mass-spectrometric study of photoionization. III. Methane and methane-d4,
J. Chem. Phys., 1965, 42, 3791. [all data]
Locht, Olivier, et al., 1979
Locht, R.; Olivier, J.L.; Momigny, J.,
Dissociative autoionization as a mechanism for the proton formation from methane and methane-d4 by low energy electron impact,
Chem. Phys., 1979, 43, 425. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy Pc Critical pressure Ptriple Triple point pressure Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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