1-Heptene

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Reaction thermochemistry data

Go To: Top, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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

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

Hydrogen + 1-Heptene = Heptane

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Δr-125. ± 2.kJ/molAVGN/AAverage of 6 values; Individual data points

2-Heptanol = 1-Heptene + Water

By formula: C7H16O = C7H14 + H2O

Quantity Value Units Method Reference Comment
Δr33.4 ± 0.2kJ/molCmWiberg, Wasserman, et al., 1984liquid phase; Heat of hydration

3-Heptanol = 1-Heptene + Water

By formula: C7H16O = C7H14 + H2O

Quantity Value Units Method Reference Comment
Δr33.2 ± 0.2kJ/molCmWiberg, Wasserman, et al., 1984liquid phase; Heat of hydration

4-Heptanol = 1-Heptene + Water

By formula: C7H16O = C7H14 + H2O

Quantity Value Units Method Reference Comment
Δr32.8 ± 0.2kJ/molCmWiberg, Wasserman, et al., 1984liquid phase; Heat of hydration

1-Heptene + Bromine = C7H14Br2

By formula: C7H14 + Br2 = C7H14Br2

Quantity Value Units Method Reference Comment
Δr-126.5kJ/molCmLister, 1941gas phase; Heat of bromination at 300 K

1-Heptene = 3-Heptene, (E)-

By formula: C7H14 = C7H14

Quantity Value Units Method Reference Comment
Δr-10.9 ± 0.4kJ/molEqkKabo, Andreevskii, et al., 1967gas phase; Heat of isomerization

1-Heptene = 2-Heptene, (E)-

By formula: C7H14 = C7H14

Quantity Value Units Method Reference Comment
Δr-10. ± 0.2kJ/molEqkKabo, Andreevskii, et al., 1967gas phase; Heat of isomerization

1-Heptene = (Z)-3-Heptene

By formula: C7H14 = C7H14

Quantity Value Units Method Reference Comment
Δr-7.6 ± 1.1kJ/molEqkKabo, Andreevskii, et al., 1967gas phase; Heat of isomerization

1-Heptene = (Z)-2-Heptene

By formula: C7H14 = C7H14

Quantity Value Units Method Reference Comment
Δr-7.6 ± 0.1kJ/molEqkKabo, Andreevskii, et al., 1967gas phase; Heat of isomerization

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.0025 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.

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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
IE (evaluated)9.34 ± 0.08eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.38 ± 0.05EIHolmes and Lossing, 1991LL
9.3 ± 0.1EIHaib and Stahl, 1990LL
9.27 ± 0.02PEAshmore and Burgess, 1978LLK
9.442 ± 0.003PEMasclet, Grosjean, et al., 1973LLK

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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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- 972
NIST MS number 230220

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References

Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Wiberg, Wasserman, et al., 1984
Wiberg, K.B.; Wasserman, D.J.; Martin, E., Enthalpies of hydration of alkenes. 2. The n-heptenes and n-pentenes, J. Phys. Chem., 1984, 88, 3684-3688. [all data]

Lister, 1941
Lister, M.W., Heats of organic reactions. X. Heats of bromination of cyclic olefins, J. Am. Chem. Soc., 1941, 63, 143-149. [all data]

Kabo, Andreevskii, et al., 1967
Kabo, G.Ya.; Andreevskii, D.N.; Savinetskaya, G.A., Isomerization equilibrium of n-monochloroheptanes and n-heptenes, Neftekhimiya, 1967, 7, 364-368. [all data]

Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P., Ionization energies of homologous organic compounds and correlation with molecular size, Org. Mass Spectrom., 1991, 26, 537. [all data]

Haib and Stahl, 1990
Haib, J.; Stahl, D., The loss of water from ionized heptanols in the gas phase, Org. Mass Spectrom., 1990, 25, 592. [all data]

Ashmore and Burgess, 1978
Ashmore, F.S.; Burgess, A.R., Photoelectron spectra of the unbranched C5-C7 alkenes, aldehydes and ketones, J. Chem. Soc. Faraday Trans. 2, 1978, 74, 734. [all data]

Masclet, Grosjean, et al., 1973
Masclet, P.; Grosjean, D.; Mouvier, G., Alkene ionization potentials. Part I. Quantitative determination of alkyl group structural effects, J. Electron Spectrosc. Relat. Phenom., 1973, 2, 225. [all data]


Notes

Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References