methanediol


Gas phase thermochemistry 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
52.71273.16Rodler M., 1986These 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.
55.87298.16
59.12323.16
62.36348.16
65.52373.16
68.59398.16

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: 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

wWeak
mMedium
sStrong
TTentative assignment or approximate value

References

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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Dorofeeva O.V., Unpublished results.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

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