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1,3-Dioxolane, 2-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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-83.7 ± 0.8kcal/molCcbPihlaja and Heikkila, 1972 

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
Deltafliquid-92.03 ± 0.52kcal/molCcbPihlaja and Heikkila, 1972 
Quantity Value Units Method Reference Comment
Deltacliquid-557.44 ± 0.52kcal/molCcbPihlaja and Heikkila, 1972Corresponding «DELTA»fliquid = -92.02 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil354.7KN/AWeast and Grasselli, 1989BS
Tboil355.7KN/ARofman, Yakubov, et al., 1976Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Deltavap8.39kcal/molN/APihlaja and Heikkila, 1972DRB

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
10.3 ± 0.1270. - 308.GSVerevkin, Peng, et al., 1998See also Verevkin, 2002.; AC

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:


IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOC.
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin DOW CHEMICAL COMPANY
Source reference COBLENTZ NO. 08570
Date 1952/10/04
State SOLUTION (CCl4 FOR 2.0-7.5, CS2 FOR 7.5-16.0 MICRON) VS SOLVENT
Instrument BAIRD (PRISM)
Instrument parameters NaCl PRISM
Path length 0.012 CM, AND 0.012 CM
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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 P.F.DIAMOND SHELL RESEARCH LIMITED THORNTON RESEARCH CENTRE
NIST MS number 19508

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101130.676.Misharina and Golovnya, 1994He; Column length: 50. m; Column diameter: 0.32 mm
CapillaryOV-101110.632.Misharina, Golovnya, et al., 199250. m/0.32 mm/0.5 «mu»m, He
CapillaryOV-101130.636.Misharina, Golovnya, et al., 199250. m/0.32 mm/0.5 «mu»m, He
PackedApiezon L120.618.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.627.Bogoslovsky, Anvaer, et al., 1978Celite 545

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

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Column type Active phase I Reference Comment
CapillaryOV-101627.Misharina, Golovnya, et al., 199250. m/0.32 mm/0.5 «mu»m, He, 4. K/min; Tstart: 50. C; Tend: 200. C

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax953.Duque, Bonilla, et al., 200130. m/0.25 mm/0.25 «mu»m, Helium, 4. K/min, 220. C @ 30. min; Tstart: 25. C

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillarySupelcowax-10973.Kourkoutas, Bosnea, et al., 200660. m/0.32 mm/0.25 «mu»m, He; Program: 35C(3min) => 5C/min => 110C => 10C/min => 240C (10min)

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.

Pihlaja and Heikkila, 1972
Pihlaja, K.; Heikkila, J., Heats of formation of cyclic vinyl ethers. A correction., Suom. Kemistilehti, 1972, 148. [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]

Rofman, Yakubov, et al., 1976
Rofman, V.M.; Yakubov, R.D.; Trofimov, B.A.; Maksimov, S.M., Liq-vap. equil. in system formed by products of vinylation of triethylene glycol & product of epoxidation of ethylene glycol monovinyl ether witrh epichlorohydrin, Zh. Prikl. Khim. (Leningrad), 1976, 49, 1159-61. [all data]

Verevkin, Peng, et al., 1998
Verevkin, S.P.; Peng, W.-H.; Beckhaus, H.D.; Rücuardt, C., Geminal substituent effects. 16. Does the anomeric effect in ketals depend on the hybridization of the central carbon atom?, Eur. J. Org. Chem., 1998, 11, 2323. [all data]

Verevkin, 2002
Verevkin, Sergey P., Improved Benson Increments for the Estimation of Standard Enthalpies of Formation and Enthalpies of Vaporization of Alkyl Ethers, Acetals, Ketals, and Ortho Esters, J. Chem. Eng. Data, 2002, 47, 5, 1071-1097, https://doi.org/10.1021/je020023o . [all data]

Misharina and Golovnya, 1994
Misharina, T.A.; Golovnya, R.V., Spectral and gas-chromatographic characterization of 4-methyl-2-alkyl substituted 1,3-oxothiolanes and 1,3-dithiolanes, Zh. Anal. Khim., 1994, 49, 4, 395-401. [all data]

Misharina, Golovnya, et al., 1992
Misharina, T.A.; Golovnya, R.V.; Yakovleva, V.N., GC-MS and GC-FTIR characteristics of 2-alkyl- and 4-methyl-2-alkyl-1,3-dioxolans, Zh. Anal. Khim., 1992, 47, 304-311. [all data]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Duque, Bonilla, et al., 2001
Duque, C.; Bonilla, A.; Bautista, E.; Zea, S., Exudation of low molecular wight compounds (thiobismethane, methyl isocyanide, amd methyl isothiocyanate) as a possible chemical defense mechanism in the marine sponge Ircinia felix, Biochem. Systematics Ecol., 2001, 29, 5, 459-467, https://doi.org/10.1016/S0305-1978(00)00081-8 . [all data]

Kourkoutas, Bosnea, et al., 2006
Kourkoutas, Y.; Bosnea, L.; Taboukos, S.; Baras, C.; Lambrou, D.; Kanellaki, M., Probiotic Cheese Production Using Lactobacillus casei Cells Immobilized on Fruit Pieces, J. Dairy Sci., 2006, 89, 5, 1439-1451, https://doi.org/10.3168/jds.S0022-0302(06)72212-3 . [all data]


Notes

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