2-Propanone, 1-chloro-

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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
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil393.2KN/AAldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
40.1331.AStephenson and Malanowski, 1987Based on data from 316. to 392. K.; AC

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
303. to 391.75.08481902.738-17.202Smith and Thornsberry, 1970Coefficents calculated by NIST from author's data.

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:
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)9.92 ± 0.03eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.98 ± 0.01PECocksey, Eland, et al., 1971LLK
10.00 ± 0.01EIFoffani, Pignataro, et al., 1964RDSH
9.98 ± 0.13EIFoffani, Pignataro, et al., 1963RDSH
9.91 ± 0.03PIVilesov, 1960RDSH
9.88PEOlivato, Guerrero, et al., 1984Vertical value; LBLHLM
9.93 ± 0.02PEYoung and Cheng, 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH2Cl+13.8 ± 0.07?EIFoffani, Pignataro, et al., 1963RDSH
CH3+13.9 ± 0.20?EIFoffani, Pignataro, et al., 1963RDSH
C2H2OCl+11.97 ± 0.11CH3EIFoffani, Pignataro, et al., 1963RDSH
C2H3O+10.29 ± 0.04CH2ClEIFoffani, Pignataro, et al., 1963RDSH

References

Go To: Top, Phase change data, Gas phase ion energetics data, Notes

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

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

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Smith and Thornsberry, 1970
Smith, Edgar Dumont; Thornsberry, Willis L., Characterization data for chloroacetone, 1,1-dichloroacetone, and 1,3-dichloroacetone, J. Chem. Eng. Data, 1970, 15, 2, 296-297, https://doi.org/10.1021/je60045a002 . [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]

Foffani, Pignataro, et al., 1964
Foffani, A.; Pignataro, S.; Cantone, B.; Grasso, F., Ionization potentials and substituent effects for aromatic carbonyl compounds, Z. Physik. Chem. (Frankfurt), 1964, 42, 221. [all data]

Foffani, Pignataro, et al., 1963
Foffani, A.; Pignataro, S.; Cantone, B.; Grasso, F., Mass spectra of diazocompounds. I. Diazocarbonyl compounds, Nuovo Cimento, 1963, 29, 918. [all data]

Vilesov, 1960
Vilesov, F.I., The photoionization of vapors of compounds whose molecules contain carbonyl groups, Dokl. Phys. Chem., 1960, 132, 521, In original 1332. [all data]

Olivato, Guerrero, et al., 1984
Olivato, P.R.; Guerrero, S.A.; Modelli, A.; Granozzi, G.; Jones, D.; Distefano, G., Electronic interaction in heterosubstituted acetones studied by means of ultraviolet photoelectron and electron transmission spectroscopy, J. Chem. Soc. Perkin Trans. 2, 1984, 1505. [all data]

Young and Cheng, 1976
Young, V.Y.; Cheng, K.L., The photoelectron spectra of halogen substituted acetones, J. Chem. Phys., 1976, 65, 3187. [all data]


Notes

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