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Acetophenone

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-86.7 ± 1.7kJ/molN/ACox and Pilcher, 1970Review; Heat of formation from Colomina, Latorre, et al., 1961; ALS
Quantity Value Units Method Reference Comment
gas372.88J/mol*KN/AStull D.R., 1969GT

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-142.5 ± 1.0kJ/molCcbColomina, Latorre, et al., 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -142.5 ± 1.0 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4140.kJ/molCcbSeno, Tsuchiya, et al., 1975Corresponding «DELTA»fliquid = -151. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4148.9 ± 0.88kJ/molCcbColomina, Latorre, et al., 1961Corresponding «DELTA»fliquid = -142.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4136.kJ/molCcbGuinchant, 1918Corresponding «DELTA»fliquid = -156. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
227.6303.2Phillip, 1939DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil475. ± 1.KAVGN/AAverage of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus293.0 ± 0.6KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tc713.KN/ASteele, Chirico, et al., 1996Uncertainty assigned by TRC = 2. K; TRC
Tc709.6KN/ATeja and Rosenthal, 1991Uncertainty assigned by TRC = 1. K; TRC
Tc709.5KN/ATeja and Anselme, 1990Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Pc44.00barN/ASteele, Chirico, et al., 1996Uncertainty assigned by TRC = 1.50 bar; from extraploation of obs. vapor pressures to Tc; TRC
Pc40.10barN/ATeja and Rosenthal, 1991Uncertainty assigned by TRC = 0.30 bar; TRC
Quantity Value Units Method Reference Comment
rhoc2.62mol/lN/ASteele, Chirico, et al., 1996Uncertainty assigned by TRC = 0.10 mol/l; TRC
rhoc2.59mol/lN/ATeja and Anselme, 1990Uncertainty assigned by TRC = 0.05 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap55.4 ± 0.4kJ/molEBSteele, Chirico, et al., 1996, 2Based on data from 360. - 520. K.; AC
Deltavap53.4kJ/molCGCChickos, Hosseini, et al., 1995Based on data from 343. - 383. K.; AC
Deltavap52.7kJ/molCGCChickos, Hosseini, et al., 1995Based on data from 343. - 383. K.; AC
Deltavap57.9kJ/molCGCChickos, Hosseini, et al., 1995Based on data from 343. - 383. K.; AC
Deltavap55.9 ± 1.3kJ/molVCox and Pilcher, 1970Review; Heat of formation from Colomina, Latorre, et al., 1961; ALS

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
340.0.007Buckingham and Donaghy, 1982BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
52.6 ± 0.4340.EBSteele, Chirico, et al., 1996, 2Based on data from 360. - 520. K.; AC
50.1 ± 0.3380.EBSteele, Chirico, et al., 1996, 2Based on data from 360. - 520. K.; AC
47.5 ± 0.3420.EBSteele, Chirico, et al., 1996, 2Based on data from 360. - 520. K.; AC
45.0 ± 0.4460.EBSteele, Chirico, et al., 1996, 2Based on data from 360. - 520. K.; AC
42.2 ± 0.4500.EBSteele, Chirico, et al., 1996, 2Based on data from 360. - 520. K.; AC
49.7390.AStephenson and Malanowski, 1987Based on data from 375. - 603. K.; AC
41.9398.GS,EBCollerson, Counsell, et al., 1965Based on data from 383. - 437. K.; AC
51.2325.N/AStull, 1947Based on data from 310. - 476. 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
310.3 - 475.64.648962006.397-43.472Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
16.65292.7Louguinine and Dupont, 1911See also Sedláková, Malijevská, et al., 2006.; 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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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

Bromine anion + Acetophenone = (Bromine anion bullet Acetophenone)

By formula: Br- + C8H8O = (Br- bullet C8H8O)

Quantity Value Units Method Reference Comment
Deltar59.0 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar23. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
23.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

C8H7O- + Hydrogen cation = Acetophenone

By formula: C8H7O- + H+ = C8H8O

Quantity Value Units Method Reference Comment
Deltar1512. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1515. ± 11.kJ/molD-EAZimmerman, Reed, et al., 1977gas phase; B
Deltar1516. ± 11.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1483. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1487. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

C8H9O + Acetophenone = (C8H9O bullet Acetophenone)

By formula: C8H9O + C8H8O = (C8H9O bullet C8H8O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar112.kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; M
Quantity Value Units Method Reference Comment
Deltar114.J/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; M

Chlorine anion + Acetophenone = (Chlorine anion bullet Acetophenone)

By formula: Cl- + C8H8O = (Cl- bullet C8H8O)

Quantity Value Units Method Reference Comment
Deltar39.7kJ/molTDEqFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
30.421.PHPMSFrench, Ikuta, et al., 1982gas phase; M

Benzaldehyde + Acetophenone = Water + Chalcone

By formula: C7H6O + C8H8O = H2O + C15H12O

Quantity Value Units Method Reference Comment
Deltar-65.0 ± 1.9kJ/molCmHao, Chang, et al., 1985liquid phase; solvent: Aqueous NaOH; ALS

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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: 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
110.6000.MN/A
94. VN/A

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

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:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
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

View reactions leading to C8H8O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.28 ± 0.03eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)861.1kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity829.3kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.3339 ± 0.0043ECDWentworth, Kao, et al., 1975B
0.3340 ± 0.0040ECDWentworth and Chen, 1967B
2.550 ± 0.030LPESYagi, Maeyama, et al., 2007This vertical detachment energy value seems at least 2 eV too large. - JEB; B

Proton affinity at 298K

Proton affinity (kJ/mol) Reference Comment
863.5 ± 0.5Tabrizchi and Shooshtari, 2003T = 413-467K; Authors report only relative PAs. Absolute values are referenced here to PA(CH3COOC2H5) = 835.7 kJ/mol as listed in Hunter and Lias, 1998, although average PA(CH3COOC2H5) from the literature sources in Hunter and Lias, 1998 is 831.0 kJ/mol; MM

Ionization energy determinations

IE (eV) Method Reference Comment
9.1 ± 0.1EIDallinga, Nibbering, et al., 1981LLK
9.28PIMcLoughlin and Traeger, 1979LLK
9.45EIElder, Beynon, et al., 1976LLK
9.1 ± 0.1PEEgdell, Green, et al., 1975LLK
9.1EIMcLafferty, Bente, et al., 1973LLK
9.50EIBenoit, 1973LLK
9.3 ± 0.2PIIskakov and Potapov, 1971LLK
9.15 ± 0.03EIBock, Alt, et al., 1969RDSH
9.27 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
9.6PITerenin, 1961RDSH
9.38PEDistefano, Granozzi, et al., 1987Vertical value; LBLHLM
9.51PEGal, Geribaldi, et al., 1985Vertical value; LBLHLM
9.51PEPfister-Guillouzo, Geribaldi, et al., 1982Vertical value; LBLHLM
9.45PECentineo, Fragala, et al., 1978Vertical value; LLK
9.45PEKoenig, Wielesek, et al., 1977Vertical value; LLK
9.35PEBenoit and Harrison, 1977Vertical value; LLK
8.9PERao, 1975Vertical value; LLK
9.37PEKobayashi and Nagakura, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H3O+11.40 ± 0.28?EIFoffani, Pignataro, et al., 1963RDSH
C6H5+13.97CO+CH3EIBenoit, 1973LLK
C6H5+13.28CO+CH3EIJohnstone and Mellon, 1972LLK
C6H5+13.42 ± 0.07?EIFoffani, Pignataro, et al., 1963RDSH
C7H5O+9.67CH3PIMcLoughlin and Traeger, 1979LLK
C7H5O+10.50 ± 0.01CH3EIHelal and Zahran, 1978LLK
C7H5O+10.08CH3EIElder, Beynon, et al., 1976LLK
C7H5O+9.6CH3EIMcLafferty, Bente, et al., 1973LLK
C7H5O+10.38CH3EIBenoit, 1973LLK
C7H5O+9.91CH3EIBuchs, Rossetti, et al., 1964RDSH

De-protonation reactions

C8H7O- + Hydrogen cation = Acetophenone

By formula: C8H7O- + H+ = C8H8O

Quantity Value Units Method Reference Comment
Deltar1512. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1515. ± 11.kJ/molD-EAZimmerman, Reed, et al., 1977gas phase; B
Deltar1516. ± 11.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1483. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1487. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Bromine anion + Acetophenone = (Bromine anion bullet Acetophenone)

By formula: Br- + C8H8O = (Br- bullet C8H8O)

Quantity Value Units Method Reference Comment
Deltar59.0 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar23. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
23.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Chlorine anion + Acetophenone = (Chlorine anion bullet Acetophenone)

By formula: Cl- + C8H8O = (Cl- bullet C8H8O)

Quantity Value Units Method Reference Comment
Deltar39.7kJ/molTDEqFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
30.421.PHPMSFrench, Ikuta, et al., 1982gas phase; M

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, UV/Visible spectrum, 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: 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 Chemical Concepts
NIST MS number 223435

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.


UV/Visible spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Clark and Tinoco, 1965
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 7310
Instrument n.i.g.
Melting point 20
Boiling point 202

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

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

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Colomina, Latorre, et al., 1961
Colomina, M.; Latorre, C.; Perez-Ossorio, R., Heats of combustion of five alkyl phenyl ketones, Pure & Appl. Chem., 1961, 2, 133-135. [all data]

Stull D.R., 1969
Stull D.R., Jr., The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [all data]

Seno, Tsuchiya, et al., 1975
Seno, M.; Tsuchiya, S.; Kise, H.; Asahara, T., Studies on bond character in phosphorus ylides by combustion heat and x-ray photoelectron spectroscopy, Bull. Chem. Soc. Jpn., 1975, 48, 2001-2005. [all data]

Guinchant, 1918
Guinchant, M.J., Etude sur la fonction acide dans les derives metheniques et methiniques, Ann. Chem., 1918, 10, 30-84. [all data]

Phillip, 1939
Phillip, N.M., Adiabatic and isothermal compressibilities of liquids, Proc. Indian Acad. Sci., 1939, A9, 109-120. [all data]

Steele, Chirico, et al., 1996
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Vapor pressure of acetophenone, (+-)-1,2-butanediol, (+-)-1,3-butanediol, diethylene glycol monopropyl ether, 1,3-dimethyladamantane, 2-ethoxyethyl acetate, ethyl octyl sufide, and pentyl acetate, J. Chem. Eng. Data, 1996, 41, 1255-68. [all data]

Teja and Rosenthal, 1991
Teja, A.S.; Rosenthal, D.J., The critical pressures and temperatures of ten substances using a low residence time flow apparatus in Experimental Results for Phase Equilibria and Pure Component Properties, DIPPR DATA Series No. 1, 1991. [all data]

Teja and Anselme, 1990
Teja, A.S.; Anselme, M.J., The critical properties of thermally stable and unstable fluids. I. 1985 results, AIChE Symp. Ser., 1990, 86, 279, 115-21. [all data]

Steele, Chirico, et al., 1996, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Vapor Pressure of Acetophenone, (±)-1,2-Butanediol, (±)-1,3-Butanediol, Diethylene Glycol Monopropyl Ether, 1,3-Dimethyladamantane, 2-Ethoxyethyl Acetate, Ethyl Octyl Sulfide, and Pentyl Acetate, J. Chem. Eng. Data, 1996, 41, 6, 1255-1268, https://doi.org/10.1021/je9601117 . [all data]

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [all data]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 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]

Collerson, Counsell, et al., 1965
Collerson, R.R.; Counsell, J.F.; Handley, R.; Martin, J.F.; Sprake, C.H.S., 677. Thermodynamic properties of organic oxygen compounds. Part XV. Purification and vapour pressures of some ketones and ethers, J. Chem. Soc., 1965, 3697, https://doi.org/10.1039/jr9650003697 . [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]

Louguinine and Dupont, 1911
Louguinine, W.; Dupont, G., Bull. Soc. Chim. Fr., 1911, 9, 219. [all data]

Sedláková, Malijevská, et al., 2006
Sedláková, Zuzana; Malijevská, Ivona; Rehák, Karel; Vrbka, Pavel, Solid-Liquid and Liquid-Liquid Equilibrium in the Formamide-Acetophenone System, Collect. Czech. Chem. Commun., 2006, 71, 9, 1350-1358, https://doi.org/10.1135/cccc20061350 . [all data]

Paul and Kebarle, 1991
Paul, G.J.C.; Kebarle, P., Stabilities of Complexes of Br- with Substituted Benzenes (SB) Based on Determinations of the Gas-Phase Equilibria Br- + SB = (BrSB)-, J. Am. Chem. Soc., 1991, 113, 4, 1148, https://doi.org/10.1021/ja00004a014 . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Zimmerman, Reed, et al., 1977
Zimmerman, A.H.; Reed, K.J.; Brauman, J.I., Photodetachment of electrons from enolate anions. Gas phase electron affinities of enolate radicals, J. Am. Chem. Soc., 1977, 99, 7203. [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]

Meot-Ner (Mautner) and Sieck, 1991
Meot-Ner (Mautner), M.; Sieck, L.W., Proton affinity ladders from variable-temperature equilibrium measurements. 1. A reevaluation of the upper proton affinity range, J. Am. Chem. Soc., 1991, 113, 12, 4448, https://doi.org/10.1021/ja00012a012 . [all data]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]

Hao, Chang, et al., 1985
Hao, J.; Chang, J.; Wang, K.; Liu, Y.; Zhong, G., Heat of reaction of chalcone by calorimetric measurement, Huaxue Tongbao, 1985, 15-16. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Wentworth, Kao, et al., 1975
Wentworth, W.E.; Kao, L.W.; Becker, R.S., Electron affinities of substituted aromatic compounds, J. Phys. Chem., 1975, 79, 1161. [all data]

Wentworth and Chen, 1967
Wentworth, W.E.; Chen, E., Experimental Determination of the Electron Affinity of Several Aromatic Aldehydes and Ketones, J. Phys. Chem., 1967, 71, 6, 1929, https://doi.org/10.1021/j100865a063 . [all data]

Yagi, Maeyama, et al., 2007
Yagi, I.; Maeyama, T.; Fujii, A.; Mikami, N., Stepwise solvatochromism of ketyl anions in the gas phase: Photodetachment excitation spectroscopy of benzophenone and acetophenone radical anions microsolvated with methanol, J. Phys. Chem. A, 2007, 111, 31, 7646-7652, https://doi.org/10.1021/jp072167l . [all data]

Tabrizchi and Shooshtari, 2003
Tabrizchi, M.; Shooshtari, S., Proton affinity measurements using ion mobility spectrometry, J. Chem. Thermodynamics, 2003, 35, 863. [all data]

Dallinga, Nibbering, et al., 1981
Dallinga, J.W.; Nibbering, N.M.M.; Louter, G.J., Formation and structure of [C8H8O]+ ions, generated from gas phase ions of phenylcyclopropylcarbinol and 1-phenyl-1-(hydroxymethyl)cyclopropane, Org. Mass Spectrom., 1981, 16, 4. [all data]

McLoughlin and Traeger, 1979
McLoughlin, R.G.; Traeger, J.C., A photoionization study of some benzoyl compounds - thermochemistry of [C7H5O]+ formation, Org. Mass Spectrom., 1979, 14, 434. [all data]

Elder, Beynon, et al., 1976
Elder, J.F.; Beynon, J.H.; Cooks, R.G., The benzoyl ion. Thermochemistry and kinetic energy release, Org. Mass Spectrom., 1976, 11, 415. [all data]

Egdell, Green, et al., 1975
Egdell, R.; Green, J.C.; Rao, C.N.R., Photoelectron spectra of substituted benzenes, Chem. Phys. Lett., 1975, 33, 600. [all data]

McLafferty, Bente, et al., 1973
McLafferty, F.W.; Bente, P.F., III; Kornfeld, R.; Tsai, S.-C.; Howe, I., Collisional activation spectra of organic ions, J. Am. Chem. Soc., 1973, 95, 2120. [all data]

Benoit, 1973
Benoit, F., The benzoyl cation: The participation of isolated electronic excited states in the dissociation of molecular ions of the form [C6H5COX]+, Org. Mass Spectrom., 1973, 7, 1407. [all data]

Iskakov and Potapov, 1971
Iskakov, L.I.; Potapov, V.K., Photionization and decomposition of benzaldehyde, acetophenone, and benzophenone, High Energy Chem., 1971, 5, 238, In original 265. [all data]

Bock, Alt, et al., 1969
Bock, H.; Alt, H.; Seidl, H., d-Orbital effects in silicon-substituted «pi»-electron systems. XV. The color of silyl ketones, J. Am. Chem. Soc., 1969, 91, 355. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Terenin, 1961
Terenin, A., Charge transfer in organic solids, induced by light, Proc. Chem. Soc., London, 1961, 321. [all data]

Distefano, Granozzi, et al., 1987
Distefano, G.; Granozzi, G.; Olivato, P.R.; Guerrero, S.A., Hyperconjugative interactions in halogen-substituted carbonyls: Ultraviolet photoelectron spectroscopy of w-halogenoacetophenones, J. Chem. Soc. Perkin Trans. 2, 1987, 1459. [all data]

Gal, Geribaldi, et al., 1985
Gal, J.-F.; Geribaldi, S.; Pfister-Guillouzo, G.; Morris, D.G., Basicity of the carbonyl group. Part 12. Correlations between ionization potentials and lewis basicities in aromatic carbonyl compounds, J. Chem. Soc. Perkin Trans. 2, 1985, 103. [all data]

Pfister-Guillouzo, Geribaldi, et al., 1982
Pfister-Guillouzo, G.; Geribaldi, S.; Gal, J.-F., Spectres photoelectroniques de cyclohexene-2-ones-1 diversement substituees en position 3. Correlations avec la reactivite, Can. J. Chem., 1982, 60, 1163. [all data]

Centineo, Fragala, et al., 1978
Centineo, G.; Fragala, I.; Bruno, G.; Spampinato, S., Photoelectron spectroscopy of benzophenone, acetophenone and their ortho-alkyl derivatives, J. Mol. Struct., 1978, 44, 203. [all data]

Koenig, Wielesek, et al., 1977
Koenig, T.; Wielesek, R.; Miller, L.L.; So, Y.-H., Correlation of electrochemical reactivity and photoelectron spectra of aromatic ketones, J. Am. Chem. Soc., 1977, 99, 7061. [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]

Rao, 1975
Rao, C.N.R., Lone-pair ionization bands of chromophores in the photoelectron spectra of organic molecules, Indian J. Chem., 1975, 13, 950. [all data]

Kobayashi and Nagakura, 1974
Kobayashi, T.; Nagakura, S., Photoelectron spectra of substituted benzenes, Bull. Chem. Soc. Jpn., 1974, 47, 2563. [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]

Johnstone and Mellon, 1972
Johnstone, R.A.W.; Mellon, F.A., Electron-impact ionization and appearance potentials, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1209. [all data]

Helal and Zahran, 1978
Helal, A.I.; Zahran, N.F., Kinetic shift in some para-substituted acetophenones, Org. Mass Spectrom., 1978, 13, 549. [all data]

Buchs, Rossetti, et al., 1964
Buchs, A.; Rossetti, G.P.; Susz, B.P., Etude, en fonction de la constante «sigma»p de Hammett, du spectre de masse d'acetophenones p-substituees, Helv. Chim. Acta, 1964, 47, 1563. [all data]

Clark and Tinoco, 1965
Clark, L.B.; Tinoco, I., Jr., Correlations in the ultraviolet spectra of the purine and pyrimidine bases, J. Am. Chem. Soc., 1965, 87, 1, 11-15. [all data]


Notes

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