2-Nonanone

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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
Δfgas-340.8 ± 1.7kJ/molCcrSellers, 1977 

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-397.2 ± 1.7kJ/molCcrSellers, 1977 
Quantity Value Units Method Reference Comment
Δcliquid-5716.8 ± 1.2kJ/molCcrSellers, 1977Corresponding Δfliquid = -397.23 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil468. ± 5.KAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus205.9KN/ATimmermans, 1922Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Tc651.9KN/AWilson, Wilson, et al., 1996Uncertainty assigned by TRC = 0.2 K; TRC
Tc652.5KN/APulliam, Gude, et al., 1994Uncertainty assigned by TRC = 0.25 K; by the sealed ampule method; TRC
Quantity Value Units Method Reference Comment
Pc24.82barN/AWilson, Wilson, et al., 1996Uncertainty assigned by TRC = 0.10 bar; TRC
Quantity Value Units Method Reference Comment
ρc1.79mol/lN/APulliam, Gude, et al., 1994Uncertainty assigned by TRC = 0.025 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap56.44 ± 0.06kJ/molCSellers, 1977ALS

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
465.20.991Aldrich Chemical Company Inc., 1990BS

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
305.3 to 468.4.723922030.504-37.948Stull, 1947Coefficents calculated by NIST from author's data.

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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 by: John E. Bartmess

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

C9H17O- + Hydrogen cation = 2-Nonanone

By formula: C9H17O- + H+ = C9H18O

Quantity Value Units Method Reference Comment
Δr1524. ± 9.2kJ/molTDEqBurkell, Fridgen, et al., 2003gas phase
Quantity Value Units Method Reference Comment
Δr1495. ± 8.8kJ/molTDEqBurkell, Fridgen, et al., 2003gas phase

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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
9.16EIHolmes, Fingas, et al., 1981LLK
9.32 ± 0.02PECocksey, Eland, et al., 1971LLK
9.38PEBenoit and Harrison, 1977Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H3O+12.24?EIPotzinger and Bunau, 1969RDSH
C7H15+10.0 ± 0.1?EIPotzinger and Bunau, 1969RDSH
C8H15O+10.03CH3EIPotzinger and Bunau, 1969RDSH

De-protonation reactions

C9H17O- + Hydrogen cation = 2-Nonanone

By formula: C9H17O- + H+ = C9H18O

Quantity Value Units Method Reference Comment
Δr1524. ± 9.2kJ/molTDEqBurkell, Fridgen, et al., 2003gas phase; B
Quantity Value Units Method Reference Comment
Δr1495. ± 8.8kJ/molTDEqBurkell, Fridgen, et al., 2003gas phase; 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.
Origin NIST Mass Spectrometry Data Center, 1990.
NIST MS number 114362

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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.

Sellers, 1977
Sellers, P., Enthalpies of combustion and formation of 2-nonanone and 2-dodecanone, J. Chem. Thermodyn., 1977, 9, 139-142. [all data]

Timmermans, 1922
Timmermans, J., Investigation of the Freezing Point of Organic Substances VII, Bull. Soc. Chim. Belg., 1922, 31, 389. [all data]

Wilson, Wilson, et al., 1996
Wilson, L.C.; Wilson, H.L.; Wilding, W.V.; Wilson, G.M., Critical Point Measurements for Fourteen Compounds by a Static Method and a Flow Method, J. Chem. Eng. Data, 1996, 41, 1252-4. [all data]

Pulliam, Gude, et al., 1994
Pulliam, M.K.; Gude, M.T.; Teja, A.S., The Critical Properties of Twelve Isomeric n-Alkanones with Six to Nine Carbon Atoms, Experimental Results for DIPPR 1990-91 Projects on Phase Equilibria and Pure Component Properties, 1994, 1994, DIPPR Data Ser. No. 2, p. 184-87. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Burkell, Fridgen, et al., 2003
Burkell, J.L.; Fridgen, T.D.; McMahon, T.B., Gas-phase acidities and sites of deprotonation of 2-ketones and structures of the corresponding enolates, Int. J. Mass Spectrom., 2003, 227, 3, 497-508, https://doi.org/10.1016/S1387-3806(03)00102-7 . [all data]

Holmes, Fingas, et al., 1981
Holmes, J.L.; Fingas, M.; Lossing, F.P., Towards a general scheme for estimating the heats of formation of organic ions in the gas phase. Part I. Odd-electron cations, Can. J. Chem., 1981, 59, 80. [all data]

Cocksey, Eland, et al., 1971
Cocksey, B.J.; Eland, J.H.D.; Danby, C.J., The effect of alkyl substitution on ionisation potential, J. Chem. Soc., 1971, (B), 790. [all data]

Benoit and Harrison, 1977
Benoit, F.M.; Harrison, A.G., Predictive value of proton affinity. Ionization energy correlations involving oxygenated molecules, J. Am. Chem. Soc., 1977, 99, 3980. [all data]

Potzinger and Bunau, 1969
Potzinger, P.; Bunau, G.v., Empirische Beruksichtigung von Uberschussenergien bei der Auftrittspotentialbestimmung, Ber. Bunsen-Ges. Phys. Chem., 1969, 73, 466. [all data]


Notes

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