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2-Butanone

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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 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-238.6 ± 0.84kJ/molCmChao and Zwolinski, 1976ALS
Deltafgas-238.7 ± 0.96kJ/molEqkBuckley and Herington, 1965Reanalyzed by Cox and Pilcher, 1970, Original value = -238.0 kJ/mol; ALS
Deltafgas-238.1kJ/molCcbSinke and Oetting, 1964ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
57.03100.Chao J., 1986p=1 bar. Recommended values agree with results of statistical calculations [ Sinke G.C., 1964, Chao J., 1976] within 0.2-1.8 J/mol*K. S(T) values calculated by [ Nickerson J.K., 1961] are different from selected ones by 4-5 J/mol*K.; GT
68.98150.
80.20200.
96.12273.15
101.68 ± 0.14298.15
102.09300.
124.37400.
145.05500.
163.15600.
178.77700.
192.25800.
203.91900.
213.991000.
222.691100.
230.211200.
236.701300.
242.311400.
247.171500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
113.43 ± 0.23347.15von Geiseler G., 1973Experimental data [ Vilcu R., 1975] differ appreciably from data selected here. Their correctness seems to be doubtful (see [ Kabo G.J., 1995]). Low accuracy is also expected for experimental value of Cp(410 K)=123.85 J/mol*K [ Bennewitz K., 1938]. Please also see Nickerson J.K., 1961.; GT
115.65 ± 0.17358.79
118.70 ± 0.18371.90
119.03 ± 0.24372.15
121.75 ± 0.18385.60
124.39 ± 0.25397.15
124.60 ± 0.19399.55
126.98 ± 0.19410.70
131.71 ± 0.26432.15
138.62 ± 0.28467.15

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 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-273.3 ± 1.2kJ/molCcbSinke and Oetting, 1964ALS
Deltafliquid-279.0kJ/molCcbParks, Mosley, et al., 1950see Moore, Renquist, et al., 1940; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-2444.2kJ/molCcbSinke and Oetting, 1964Corresponding «DELTA»fliquid = -273.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-2438.4kJ/molCcbParks, Mosley, et al., 1950see Moore, Renquist, et al., 1940; Corresponding «DELTA»fliquid = -278.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-2436.3 ± 1.5kJ/molCcbCrog and Hunt, 1942Corresponding «DELTA»fliquid = -281.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid239.0J/mol*KN/AAndon, Counsell, et al., 1968DH
liquid238.82J/mol*KN/ASinke and Oetting, 1964DH
liquid241.4J/mol*KN/AParks, Kennedy, et al., 1956Extrapolation below 80 K, 53.47 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
159.298.15Malhotra and Woolf, 1992T = 278 to 338 K. p = 0.1 MPa.; DH
162.2303.15Reddy, 1986T = 303.15, 313.15 K.; DH
158.4298.15Costas and Patterson, 1985T = 283.15, 298.15, 313.15 K.; DH
158.4298.15Costas and Patterson, 1985, 2DH
157.91298.15Grolier and Benson, 1984DH
158.4298.1Roux, Perron, et al., 1978T = 277 to 313 K.; DH
159.2298.15Grolier, Benson, et al., 1975DH
158.7298.15Andon, Counsell, et al., 1968T = 10 to 320 K.; DH
158.0293.Rastorguev and Ganiev, 1967T = 293 to 353 K.; DH
158.91298.15Sinke and Oetting, 1964T = 13 to 308 K.; DH
158.41298.15Parks, Kennedy, et al., 1956T = 80 to 300 K.; DH
160.7297.0Kolosovskii and Udovenko, 1934DH
160.7297.0de Kolossowsky and Udowenko, 1933DH

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil353. ± 1.KAVGN/AAverage of 89 out of 90 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus186.5 ± 0.5KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple186.5KN/AWilhoit, Chao, et al., 1985Uncertainty assigned by TRC = 0.01 K; TRC
Ttriple186.47KN/AAndon, Counsell, et al., 1968, 2Uncertainty assigned by TRC = 0.04 K; TRC
Ttriple186.4KN/ASinke and Oetting, 1964, 2Uncertainty assigned by TRC = 0.06 K; measured for the sample, 1/f = 1.00; TRC
Ttriple186.48KN/ASinke and Oetting, 1964, 2Uncertainty assigned by TRC = 0.03 K; measured for the sample, 1/f = 1.00; TRC
Ttriple186.1KN/AParks, Kennedy, et al., 1956, 2Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Tc535. ± 2.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Pc42. ± 2.barAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
rhoc3.74mol/lN/AKobe, Crawford, et al., 1955Uncertainty assigned by TRC = 0.21 mol/l; TRC
rhoc3.49mol/lN/ARosenbaum, 1951Uncertainty assigned by TRC = 0.06 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap34. ± 2.kJ/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
31.3352.8N/AMajer and Svoboda, 1985 
34.6309.AStephenson and Malanowski, 1987Based on data from 294. - 342. K.; AC
32.5368.AStephenson and Malanowski, 1987Based on data from 353. - 403. K.; AC
31.6412.AStephenson and Malanowski, 1987Based on data from 397. - 479. K.; AC
31.1488.AStephenson and Malanowski, 1987Based on data from 473. - 537. K.; AC
33.9330.A,EB,GSStephenson and Malanowski, 1987Based on data from 315. - 363. K. See also Ambrose, Ellender, et al., 1975 and Collerson, Counsell, et al., 1965.; AC
35.6273.N/ADi Cave, Chianese, et al., 1978Based on data from 258. - 362. K.; AC
33.8315.CGeiseler, Quitzsch, et al., 1973AC
33.8 ± 0.1314.CNickerson, Kobe, et al., 1961AC
32.3 ± 0.1338.CNickerson, Kobe, et al., 1961AC
31.3 ± 0.1352.CNickerson, Kobe, et al., 1961AC
30.5 ± 0.1363.CNickerson, Kobe, et al., 1961AC
30.0 ± 0.1370.CNickerson, Kobe, et al., 1961AC
33.9329.N/AStull, 1947Based on data from 314. - 370. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
298. - 371.51.870.2925536.8Majer and Svoboda, 1985 

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
314.6 - 370.63.98941150.207-63.904Nickerson, Kobe, et al., 1961Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
8.385186.47Andon, Counsell, et al., 1968DH
8.4387186.48Sinke and Oetting, 1964DH
8.44186.5Acree, 1991AC
8.485186.1Parks, Kennedy, et al., 1956DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
44.98186.47Andon, Counsell, et al., 1968DH
45.25186.48Sinke and Oetting, 1964DH
45.59186.1Parks, Kennedy, et al., 1956DH

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, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar

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

C4H9O+ + 2-Butanone = (C4H9O+ bullet 2-Butanone)

By formula: C4H9O+ + C4H8O = (C4H9O+ bullet C4H8O)

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

Quantity Value Units Method Reference Comment
Deltar127.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar129.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar88.7kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C5H11O+ + 2-Butanone = (C5H11O+ bullet 2-Butanone)

By formula: C5H11O+ + C4H8O = (C5H11O+ bullet C4H8O)

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

Quantity Value Units Method Reference Comment
Deltar123.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar123.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar86.6kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C4H7O- + Hydrogen cation = 2-Butanone

By formula: C4H7O- + H+ = C4H8O

Quantity Value Units Method Reference Comment
Deltar1536. ± 12.kJ/molG+TSChyall, Brickhouse, et al., 1994gas phase; Primary and secondary sites are of equal acidity by equilibration. Acidity from Zimmerman, Reed, et al., 1977; B
Deltar1545. ± 10.kJ/molD-EAZimmerman, Reed, et al., 1977gas phase; B
Quantity Value Units Method Reference Comment
Deltar1508. ± 11.kJ/molIMREChyall, Brickhouse, et al., 1994gas phase; Primary and secondary sites are of equal acidity by equilibration. Acidity from Zimmerman, Reed, et al., 1977; B
Deltar1516. ± 11.kJ/molH-TSZimmerman, Reed, et al., 1977gas phase; B

C3H9Sn+ + 2-Butanone = (C3H9Sn+ bullet 2-Butanone)

By formula: C3H9Sn+ + C4H8O = (C3H9Sn+ bullet C4H8O)

Quantity Value Units Method Reference Comment
Deltar164.kJ/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar137.J/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
92.5525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

CH6N+ + 2-Butanone = (CH6N+ bullet 2-Butanone)

By formula: CH6N+ + C4H8O = (CH6N+ bullet C4H8O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Deltar105.kJ/molPHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KN/AMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
47.7553.PHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Chlorine anion + 2-Butanone = (Chlorine anion bullet 2-Butanone)

By formula: Cl- + C4H8O = (Cl- bullet C4H8O)

Quantity Value Units Method Reference Comment
Deltar61.9 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar87.9J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)(CH3)2CO, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar36. ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M

Hydrogen + 2-Butanone = 2-Butanol

By formula: H2 + C4H8O = C4H10O

Quantity Value Units Method Reference Comment
Deltar-54.18kJ/molEqkBuckley and Herington, 1965gas phase; ALS
Deltar-54.3 ± 0.4kJ/molChydDolliver, Gresham, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -55.2 ± 0.4 kJ/mol; At 355 °K; ALS

C4H7O- + Hydrogen cation = 2-Butanone

By formula: C4H7O- + H+ = C4H8O

Quantity Value Units Method Reference Comment
Deltar1678. ± 17.kJ/molCIDTGraul and Squires, 1990gas phase; B
Deltar<1711.3kJ/molCIDTGraul and Squires, 1988gas phase; B
Quantity Value Units Method Reference Comment
Deltar1646. ± 17.kJ/molH-TSGraul and Squires, 1990gas phase; B

Nitric oxide anion + 2-Butanone = (Nitric oxide anion bullet 2-Butanone)

By formula: NO- + C4H8O = (NO- bullet C4H8O)

Quantity Value Units Method Reference Comment
Deltar177.kJ/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

C4H7O- + Hydrogen cation = 2-Butanone

By formula: C4H7O- + H+ = C4H8O

Quantity Value Units Method Reference Comment
Deltar1540. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1512. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

(CAS Reg. No. 35730-33-7 bullet 42949672952-Butanone) + 2-Butanone = CAS Reg. No. 35730-33-7

By formula: (CAS Reg. No. 35730-33-7 bullet 4294967295C4H8O) + C4H8O = CAS Reg. No. 35730-33-7

Quantity Value Units Method Reference Comment
Deltar164. ± 9.2kJ/molN/ATaft, 1987gas phase; value altered from reference due to change in acidity scale; B

2-Butanol = Hydrogen + 2-Butanone

By formula: C4H10O = H2 + C4H8O

Quantity Value Units Method Reference Comment
Deltar54.22kJ/molEqkCubberley and Mueller, 1946gas phase; ALS
Deltar57.170kJ/molEqkKolb and Burwell, 1945gas phase; ALS

Magnesium ion (1+) + 2-Butanone = (Magnesium ion (1+) bullet 2-Butanone)

By formula: Mg+ + C4H8O = (Mg+ bullet C4H8O)

Quantity Value Units Method Reference Comment
Deltar280.kJ/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(CH3OH); M

2,2-Dimethoxybutane + Water = 2Methyl Alcohol + 2-Butanone

By formula: C6H14O2 + H2O = 2CH4O + C4H8O

Quantity Value Units Method Reference Comment
Deltar19.33 ± 0.04kJ/molCmWiberg and Squires, 1979liquid phase; Heat of hydrolysis; ALS

Hydrogen iodide + 3-Iodo-2-butanone = Iodine + 2-Butanone

By formula: HI + C4H7IO = I2 + C4H8O

Quantity Value Units Method Reference Comment
Deltar-42.7kJ/molKinSolly, Golden, et al., 1970gas phase; ALS

Hydrogen + Methyl vinyl ketone = 2-Butanone

By formula: H2 + C4H6O = C4H8O

Quantity Value Units Method Reference Comment
Deltar-550.6kJ/molChydVeselova and Sul'man, 1980liquid phase; ALS

Sodium ion (1+) + 2-Butanone = (Sodium ion (1+) bullet 2-Butanone)

By formula: Na+ + C4H8O = (Na+ bullet C4H8O)

Quantity Value Units Method Reference Comment
Deltar131. ± 7.1kJ/molCIDTMoision and Armentrout, 2002RCD

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

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

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Vibrational and/or electronic energy levels, 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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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 CARL DJERASSI DEPT OF CHEM STANFORD UNIV STANFORD CALIF 94305
NIST MS number 50206

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Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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: Takehiko Shimanouchi

Trans form     Symmetry:   Cs     Symmetry Number sigma = 1


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a' 1 CH3(1) d-str 2983  D 2983 S liq. 2983 M liq. OV(«nu»2,«nu»21,«nu»22)
a' 2 CH3(4) d-str 2983  D 2983 S liq. 2983 M liq. OV(«nu»1,«nu»21,«nu»22)
a' 3 CH3(1) s-str 2910  D 2910 S liq. 2924 S p liq. OV(«nu»4)
a' 4 CH3(4) s-str 2910  D 2910 S liq. 2924 S p liq. OV(«nu»3)
a' 5 CH2 s-str 2884  D 2884 S liq.
a' 6 CO str 1716  C 1716 S sln. 1715 M p liq.
a' 7 CH3(4) d-deform 1460  D 1460 M sln. 1450 M liq. OV(«nu»24)
a' 8 CH2 scis 1422  C 1422 S sln. 1419 M liq.
a' 9 CH3(1) d-deform 1413  D 1413 S sln. OV(«nu»25)
a' 10 CH3(4) s-deform 1373  C 1373 S sln.
a' 11 CH3(1) s-deform 1346  C 1346 S sln. 1345 W liq.
a' 12 CH2 wag 1263  D 1263 W sln. 1258 W liq. OV(«nu»26)
a' 13 CC(12) str 1182  C 1182 S sln. 1169 W liq.
a' 14 CH3(4) rock 1089  C 1089 M sln. 1087 M p liq.
a' 15 CC(34) str 997  C 997 sln. 999 W liq.
a' 16 CH3(1) rock 939  C 939 sln. 751 W liq.
a' 17 CC(23) str 760  D 760 S liq. 760 M p liq.
a' 18 CO ip-bend 590  C 590 S sln. 591 W liq.
a' 19 CCC(123) deform 413  C 413 S sln. 410 W liq.
a' 20 CCC(234) deform 260  C 260 S sln. 264 W liq.
a 21 CH3(1) d-str 2983  D 2983 S liq. 2983 liq. OV(«nu»1,«nu»2,«nu»22)
a 22 CH3(4) d-str 2983  D 2983 S liq. 2983 liq. OV(«nu»1,«nu»2,«nu»21)
a 23 CH2 d-str 2941  D 2941 S liq.
a 24 CH3(4) d-deform 1460  D 1460 M sln. 1450 M liq. OV(«nu»7)
a 25 CH3(1) d-deform 1413  D 1413 S sln. OV(«nu»9)
a 26 CH2 twist 1263  D 1263 W sln. 1258 W liq. OV(«nu»12)
a 27 CH3(4) rock 1108  C 1108 W sln.
a 28 CH3(1) rock 952  C 952 sh sln. 951 W liq.
a 29 CH2 rock 768  D 768 S liq.
a 30 CO op-bend 460  C 460 VW sln.
a 31 CC(34) torsion 201  E CF
a 32 CC(12) torsion 106  E CF
a 33 CC(23) torsion 87  C 87 W sln.

Source: Shimanouchi, 1972

Notes

SStrong
MMedium
WWeak
VWVery weak
shShoulder
pPolarized
CFCalculated frequency
OVOverlapped by band indicated in parentheses.
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty
E15~30 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Notes

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

Chao and Zwolinski, 1976
Chao, J.; Zwolinski, B.J., Ideal gas thermodynamic properties of propanone and 2-butanone, J. Phys. Chem. Ref. Data, 1976, 5, 319-328. [all data]

Buckley and Herington, 1965
Buckley, E.; Herington, E.F.G., Equilibria in some secondary alcohol + hydrogen + ketone systems, Trans. Faraday Soc., 1965, 61, 1618-1625. [all data]

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Notes

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