methanediol
- Formula: CH4O2
- Molecular weight: 48.0413
- CAS Registry Number: 463-57-0
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Gas phase thermochemistry data
Go To: Top, 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
52.71 | 273.16 | Rodler M., 1986 | These values were obtained using molecular parameters determined by ab initio calculation. From comparison with estimations by difference method [ Dorofeeva O.V., 1997], one may expect that entropy values are underestimated by 15-30 J/mol*K. |
55.87 | 298.16 | ||
59.12 | 323.16 | ||
62.36 | 348.16 | ||
65.52 | 373.16 | ||
68.59 | 398.16 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry 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: Marilyn E. Jacox
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
OH stretch | 3637.6 | m T | Ar | IR | Lugez, Schriver, et al., 1994 | ||
OH stretch | 3564.4 | m T | Ar | IR | Lugez, Schriver, et al., 1994 | ||
COH deform. | 1424.4 | w m T | Ar | IR | Lugez, Schriver, et al., 1994 | ||
COH deform. | 1358.7 | w T | Ar | IR | Lugez, Schriver, et al., 1994 | ||
CH2 wag | 1334.6 | w T | Ar | IR | Lugez, Schriver, et al., 1994 | ||
CO stretch | 1056.5 | s T | Ar | IR | Lugez, Schriver, et al., 1994 | ||
CO torsion | 547.7 | m T | Ar | IR | Lugez, Schriver, et al., 1994 | ||
Additional references: Jacox, 1998, page 325
Notes
w | Weak |
m | Medium |
s | Strong |
T | Tentative assignment or approximate value |
References
Go To: Top, Gas phase thermochemistry 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.
Rodler M., 1986
Rodler M.,
Ab initio studies of the structures and energies of methanediol and 1,1-ethenediol,
Chem. Phys., 1986, 105, 345-353. [all data]
Dorofeeva O.V., 1997
Dorofeeva O.V.,
Unpublished results. Thermocenter of Russian Academy of Science, Moscow, 1997. [all data]
Lugez, Schriver, et al., 1994
Lugez, C.; Schriver, A.; Levant, R.; Schriver-Mazzuoli, L.,
A matrix-isolation infrared spectroscopic study of the reactions of methane and methanol with ozone,
Chem. Phys., 1994, 181, 1-2, 129, https://doi.org/10.1016/0301-0104(94)85021-6
. [all data]
Jacox, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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