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Benzoic acid, 3,4-dimethoxy-

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Condensed phase thermochemistry data

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid-170.7 ± 0.33kcal/molCcbColomina, Roux, et al., 1981 
Quantity Value Units Method Reference Comment
Deltacsolid-1017.3 ± 0.2kcal/molCcbColomina, Roux, et al., 1981Corresponding «DELTA»fsolid = -170.7 kcal/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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Deltasub31.0 ± 0.1kcal/molVColomina, Jimenez, et al., 1985ALS
Deltasub31.0 ± 0.1kcal/molMEColomina, Jiménez, et al., 1985Based on data from 359. - 378. K.; AC

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
30.1 ± 0.1369.MEColomina, Jiménez, et al., 1985Based on data from 359. - 378. K.; AC

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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Mass 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 Japan AIST/NIMC Database- Spectrum MS-NW-4822
NIST MS number 232004

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Gas Chromatography

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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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51670.Alves, Pinto, et al., 200530. m/0.25 mm/0.25 «mu»m, H2, 5. K/min, 270. C @ 20. min; Tstart: 35. C

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP-5MS1688.Alissandrakis, Kibaris, et al., 200530. m/0.25 mm/0.25 «mu»m, He; Program: 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min)

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Colomina, Roux, et al., 1981
Colomina, M.; Roux, M.V.; Turrion, C., Thermochemical properties of benzoic acid derivatives. X. Enghalpies of combustion and formation of 2,3-, 2,4-, 2,6-, 3,4-, and 3,5-dimethoxybenzoic acids, J. Chem. Thermodyn., 1981, 13, 1169-1173. [all data]

Colomina, Jimenez, et al., 1985
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C., Thermochemical properties of benzoic acid derivatives. XII. Vapour pressures and enthalpies of sublimation and formation of five dimethoxybenzoic acids, J. Chem. Thermodyn., 1985, 17, 1091-10. [all data]

Colomina, Jiménez, et al., 1985
Colomina, M.; Jiménez, P.; Roux, M.V.; Turrión, C., Thermochemical properties of benzoic acid derivatives XII. Vapour pressures and enthalpies of sublimation and formation of five dimethoxybenzoic acids, The Journal of Chemical Thermodynamics, 1985, 17, 11, 1091-1096, https://doi.org/10.1016/0021-9614(85)90096-5 . [all data]

Alves, Pinto, et al., 2005
Alves, R.J.V.; Pinto, A.C.; da Costa, A.V.M.; Rezende, C.M., Zizyphus mauritiana Lam. (Rhamnaceae) and the chemical composition of its floral fecal odor, J. Braz. Chem. Soc., 2005, 16, 3B, 654-656, https://doi.org/10.1590/S0103-50532005000400027 . [all data]

Alissandrakis, Kibaris, et al., 2005
Alissandrakis, E.; Kibaris, A.C.; Tarantilis, P.A.; Harizanis, P.C.; Polissiou, M., Flavour compounds of Greek cotton honey, J. Sci. Food Agric., 2005, 85, 9, 1444-1452, https://doi.org/10.1002/jsfa.2124 . [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References