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1-Propene, 3-methoxy-

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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
Tboil319.2KN/AWeast and Grasselli, 1989BS
Tboil319.15KN/AKatritzky, Pinzelli, et al., 1970Uncertainty assigned by TRC = 2. K; TRC
Tboil320.KN/AShikhmamedbekova and Sultanov, 1970Uncertainty assigned by TRC = 3. 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:


Reaction 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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C4H7O- + Hydrogen cation = 1-Propene, 3-methoxy-

By formula: C4H7O- + H+ = C4H8O

Quantity Value Units Method Reference Comment
Deltar388.7 ± 4.1kcal/molG+TSDahlke and Kass, 1991gas phase; Between H2O, furan. Reprotonation site uncertain; B
Quantity Value Units Method Reference Comment
Deltar382.0 ± 4.0kcal/molIMRBDahlke and Kass, 1991gas phase; Between H2O, furan. Reprotonation site uncertain; B

1-Propene, 3-methoxy- = cis-1-Propenyl methyl ether

By formula: C4H8O = C4H8O

Quantity Value Units Method Reference Comment
Deltar-4.83 ± 0.05kcal/molEqkTaskinen, 1993liquid phase; solvent: DMSO; Isomerization; ALS

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:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C4H8O+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.56EIHolmes and Lossing, 1986LBLHLM
9.84 ± 0.05PEMcAlduff, Caramella, et al., 1978Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H5O+10.74 ± 0.05C2H3EIHolmes and Lossing, 1984LBLHLM

De-protonation reactions

C4H7O- + Hydrogen cation = 1-Propene, 3-methoxy-

By formula: C4H7O- + H+ = C4H8O

Quantity Value Units Method Reference Comment
Deltar388.7 ± 4.1kcal/molG+TSDahlke and Kass, 1991gas phase; Between H2O, furan. Reprotonation site uncertain; B
Quantity Value Units Method Reference Comment
Deltar382.0 ± 4.0kcal/molIMRBDahlke and Kass, 1991gas phase; Between H2O, furan. Reprotonation site uncertain; B

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.
NIST MS number 292

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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

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101529.Zenkevich, 200525. m/0.20 mm/0.10 «mu»m, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

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

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]

Katritzky, Pinzelli, et al., 1970
Katritzky, A.R.; Pinzelli, R.F.; Sinnot, M.V.; Topsom, R.D., Infrared INtensities as a Quantitative Measure of Intramoelcular Inter- actions XV. Monosubstituted Ethylenes, J. Am. Chem. Soc., 1970, 92, 6861. [all data]

Shikhmamedbekova and Sultanov, 1970
Shikhmamedbekova, A.Z.; Sultanov, R.A., Addition of «alpha»-Chloromethyl Ethersto Trialkylenylsilanes, Zh, Obshch, Khim., 1970, 40, 77-84. [all data]

Dahlke and Kass, 1991
Dahlke, G.D.; Kass, S.R., Substituent Effects in the Gas Phase - 1-Substituted Allyl Anions, J. Am. Chem. Soc., 1991, 113, 15, 5566, https://doi.org/10.1021/ja00015a008 . [all data]

Taskinen, 1993
Taskinen, E., Relative thermodynamic stabilities of isomeric alkyl allyl and alkyl (Z)-propenyl ethers, Tetrahedron, 1993, 49, 11389-11394. [all data]

Holmes and Lossing, 1986
Holmes, J.L.; Lossing, F.P., Title unavailable, Personal communication to S.G. Lias, 1986. [all data]

McAlduff, Caramella, et al., 1978
McAlduff, E.J.; Caramella, P.; Houk, K.N., Photoelectron spectra of 3-substituted cyclopentenes. Correlations between ionization potentials and cycloaddition regioselectivity, J. Am. Chem. Soc., 1978, 100, 105. [all data]

Holmes and Lossing, 1984
Holmes, J.L.; Lossing, F.P., Heats of formation of organic radicals from appearance energies, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 113. [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]


Notes

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References