Benzene, 1-methoxy-3-methyl-

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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
53.59100.Sharma S.N., 1982Estimations by difference method [ Dorofeeva O.V., 1997] have reason to suppose that Cp(298.15 K) and S(298.15 K) values obtained by [83SHA3] may be underestimated by 10-25 J/mol*K.
97.79200.
142.89300.
187.09400.
225.82500.
258.03600.
284.64700.
306.81800.
325.43900.
341.191000.
354.601100.
366.051200.
375.871300.
384.321400.
391.621500.
397.961600.
403.471700.
408.301800.
412.531900.
416.272000.

Condensed 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid-155.4kJ/molCcbBadoche, 1941Author's hf298_condensed=-40.25 kcal/mol
Quantity Value Units Method Reference Comment
Δcliquid-4421.90kJ/molCcbBadoche, 1941Author's hf298_condensed=-40.25 kcal/mol; Corresponding Δfliquid = -155.3 kJ/mol (simple calculation by NIST; no Washburn corrections)

Phase change 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity Value Units Method Reference Comment
Tboil448.7KN/AWeast and Grasselli, 1989BS
Tboil448. to 449.KN/AFrinton Laboratories Inc., 1986BS
Tboil449.7KN/AOlson, Hipsher, et al., 1947Uncertainty assigned by TRC = 0.5 K; TRC
Tboil449.59KN/ABoord, Greenlee, et al., 1945Uncertainty assigned by TRC = 0.2 K; TRC
Tboil449.9KN/APerkin, 1896Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tfus217.23KN/AOlson, Hipsher, et al., 1947Uncertainty assigned by TRC = 0.4 K; TRC
Tfus217.9KN/ABoord, Greenlee, et al., 1945Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tc665.3KN/AYoung, 1994Uncertainty assigned by TRC = 0.6 K; TRC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Gas phase ion energetics 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 as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C8H10O+ (ion structure unspecified)

Proton affinity at 298K

Proton affinity (kJ/mol) Reference Comment
860. ± 8.van Beelen, Koblenz, et al., 2004T = 298K; PA derived by authors from GB with protonation entropy equated to Rlnσ(B)/σ(BH+); MM

Gas basicity at 298K

Gas basicity (review) (kJ/mol) Reference Comment
828. ± 8.van Beelen, Koblenz, et al., 2004T = 298K; PA derived by authors from GB with protonation entropy equated to Rlnσ(B)/σ(BH+); MM

Ionization energy determinations

IE (eV) Method Reference Comment
8.0PEKobayashi and Nagakura, 1974LLK
8.4 ± 0.1EIBrown, 1970RDSH
8.31 ± 0.05EIPignataro, Foffani, et al., 1966RDSH
8.1 ± 0.15CTSVoigt and Reid, 1964RDSH
8.28PEKobayashi and Nagakura, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H7+12.9?EIHarrison, Haynes, et al., 1965RDSH
C7H7O+11.6 ± 0.1CH3EIBrown, 1970RDSH
C7H7O+11.3 ± 0.1CH3EITait, Shannon, et al., 1962RDSH
C7H8+11.2 ± 0.1CH2OEIBrown, 1970RDSH
C7H9+11.7CO+H?EIHarrison, Haynes, et al., 1965RDSH
C8H9O+12.1 ± 0.1HEIMeyer and Harrison, 1964RDSH

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.

Sharma S.N., 1982
Sharma S.N., Infrared and laser Raman spectra of m- and p-methylanisoles, Acta Phys. Pol., 1982, A62, 449-456. [all data]

Dorofeeva O.V., 1997
Dorofeeva O.V., Unpublished results. Thermocenter of Russian Academy of Science, Moscow, 1997. [all data]

Badoche, 1941
Badoche, M., No 19. - Chaleurs de combustion du phenol, du-m-cresol et del leurs ethers; par M. Marius BADOCHE., Bull. Soc. Chim. Fr., 1941, 8, 212-220. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Frinton Laboratories Inc., 1986
Frinton Laboratories Inc., Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]

Olson, Hipsher, et al., 1947
Olson, W.T.; Hipsher, H.F.; Buess, C.M.; Goodman, I.A.; Hart, I.; Lamneck, J.H.; Gibbons, L.C., The Synthesis and Purification of Ethers, J. Am. Chem. Soc., 1947, 69, 2451-4. [all data]

Boord, Greenlee, et al., 1945
Boord, C.E.; Greenlee, K.W.; Perilstein, W.L., , Am. Pet. Inst. Res. Proj. 45, Seventh Annu. Rep., Ohio State Univ., June 30, 1945. [all data]

Perkin, 1896
Perkin, W.H., LXIX. On Magnetic Rotatory Power, especially of Aromatic Compounds, J. Chem. Soc., 1896, 69, 1025-1257. [all data]

Young, 1994
Young, C.L., Personal Commun. 1994 1994, 1994. [all data]

van Beelen, Koblenz, et al., 2004
van Beelen, E.S.E.; Koblenz, T.A.; Ingemann, S.; Hammerum, S., Experimental and theoretical evaluation of proton affinities of furan, the methylphenols, and the related anisoles, J. Phys. Chem. A, 2004, 108, 2787. [all data]

Kobayashi and Nagakura, 1974
Kobayashi, T.; Nagakura, S., Photoelectron spectra of substituted benzenes, Bull. Chem. Soc. Jpn., 1974, 47, 2563. [all data]

Brown, 1970
Brown, P., Kinetic studies in mass spectrometry. VIII. Competing [M-CH3] and [M-CH2O] reactions in substituted anisoles. Approximate activation energies from ionization appearance potentials, Org. Mass Spectrom., 1970, 4, 519. [all data]

Pignataro, Foffani, et al., 1966
Pignataro, S.; Foffani, A.; Innorta, G.; Distefano, G., Molecular structural effects on the ionization potentials for metasubstituted aromatic compounds and for compounds of the type X-CH2-R, Z. Physik. Chem. (Frankfurt), 1966, 49, 291. [all data]

Voigt and Reid, 1964
Voigt, E.M.; Reid, C., Ionization potentials of substituted benzenes and their charge-transfer spectra with tetracyanoethylene, J. Am. Chem. Soc., 1964, 86, 3930. [all data]

Harrison, Haynes, et al., 1965
Harrison, A.G.; Haynes, P.; McLean, S.; Meyer, F., The mass spectra of methyl-substituted cyclopentadienes, J. Am. Chem. Soc., 1965, 87, 5099. [all data]

Tait, Shannon, et al., 1962
Tait, J.M.S.; Shannon, T.W.; Harrison, A.G., The structure of substituted C7 ions from benzyl derivatives at the appearance potential threshold, J. Am. Chem. Soc., 1962, 84, 4. [all data]

Meyer and Harrison, 1964
Meyer, F.; Harrison, A.G., An electron impact study of methyl phenyl ethers, Can. J. Chem., 1964, 42, 2008. [all data]


Notes

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