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Anisole

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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), 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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-16.24 ± 0.29kcal/molCcbFenwick, Harrop, et al., 1975Author was aware that data differs from previously reported values; ALS
Deltafgas-18.33 ± 0.22kcal/molCcbLebedeva and Katin, 1972Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -19.6 ± 0.3 kcal/mol; ALS
Deltafgas-16.9kcal/molCcbGray and Williams, 1959Private communication; ALS
Deltafgas-17.9kcal/molN/ABadoche, 1941Value computed using «DELTA»fHliquid° value of -118.4 kj/mol from Badoche, 1941 and «DELTA»vapH° value of 43.3 kj/mol from Lebedeva and Katin, 1972.; DRB

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
38.829388.15Hales J.L., 1967GT
40.349408.15
42.299433.15
43.750453.15
45.170473.15
46.831498.15

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), 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-27.43 ± 0.28kcal/molCcbFenwick, Harrop, et al., 1975Author was aware that data differs from previously reported values; ALS
Deltafliquid-28.7 ± 0.2kcal/molCcbLebedeva and Katin, 1972ALS
Deltafliquid-28.30kcal/molCcbBadoche, 1941Author's hf298_condensed=-31.02 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-904.187kcal/molCcbFenwick, Harrop, et al., 1975Author was aware that data differs from previously reported values; Corresponding «DELTA»fliquid = -27.431 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-902.9 ± 0.2kcal/molCcbLebedeva and Katin, 1972Corresponding «DELTA»fliquid = -28.7 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-903.32kcal/molCcbBadoche, 1941Author's hf298_condensed=-31.02 kcal/mol; Corresponding «DELTA»fliquid = -28.30 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
47.56298.15Fenwick, Harrop, et al., 1975, 2DH
49.90304.8Phillip, 1939DH
45.70297.2de Kolossowsky and Udowenko, 1933DH

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

Quantity Value Units Method Reference Comment
Tboil427.0 ± 0.9KAVGN/AAverage of 19 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus250. ± 40.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tc643. ± 4.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Pc41.4 ± 0.5atmAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
rhoc2.93mol/lN/AWilson, Wilson, et al., 1996Uncertainty assigned by TRC = 0.092 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap11. ± 2.kcal/molAVGN/AAverage of 13 values; Individual data points

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
9.314426.8N/AMajer and Svoboda, 1985 
9.99397.N/AReich and Sanhueza, 1993Based on data from 382. - 429. K.; AC
10.0397.AStephenson and Malanowski, 1987Based on data from 382. - 437. K. See also Ambrose, Ellender, et al., 1976.; AC
9.32426.N/AAmbrose, Ellender, et al., 1976Based on data from 282. - 437. K.; AC
10.3 ± 0.02367.CHales, Lees, et al., 1967AC
10.0 ± 0.02382.CHales, Lees, et al., 1967AC
9.68 ± 0.02402.CHales, Lees, et al., 1967AC
9.30 ± 0.02427.CHales, Lees, et al., 1967AC
10.0397.N/Avon Terres, Gebert, et al., 1955Based on data from 382. - 437. K. See also Collerson, Counsell, et al., 1965.; AC

Enthalpy of vaporization

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

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Temperature (K) A (kcal/mol) beta Tc (K) Reference Comment
298. - 427.15.160.2787644.1Majer and Svoboda, 1985 

Antoine Equation Parameters

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

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Temperature (K) A B C Reference
383.03 - 437.264.171551489.756-69.607Collerson, Counsell, et al., 1965, 2

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.787237.Domalski and Hearing, 1996See also Lee, Lien, et al., 1994.; AC
3.081236.Domalski and Hearing, 1996AC
4.0700293.2Eykman, 1889DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
13.9293.2Eykman, 1889DH

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
3.0808268.73crystaline, IliquidGoates, Boerio-Goates, et al., 1987DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
11.5268.73crystaline, IliquidGoates, Boerio-Goates, et al., 1987DH

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), 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
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

Bromine anion + Anisole = (Bromine anion bullet Anisole)

By formula: Br- + C7H8O = (Br- bullet C7H8O)

Quantity Value Units Method Reference Comment
Deltar11.8 ± 1.8kcal/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
Deltar20.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar3.3 ± 1.0kcal/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° (kcal/mol) T (K) Method Reference Comment
3.3423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

C7H7O- + Hydrogen cation = Anisole

By formula: C7H7O- + H+ = C7H8O

Quantity Value Units Method Reference Comment
Deltar401.3 ± 3.1kcal/molG+TSDahlke and Kass, 1992gas phase; Acid: anisole. Between o-methoxyphenide and Me2NH.; B
Quantity Value Units Method Reference Comment
Deltar394.0 ± 3.0kcal/molIMRBDahlke and Kass, 1992gas phase; Acid: anisole. Between o-methoxyphenide and Me2NH.; B

C7H7O- + Hydrogen cation = Anisole

By formula: C7H7O- + H+ = C7H8O

Quantity Value Units Method Reference Comment
Deltar398.3 ± 3.1kcal/molG+TSDahlke and Kass, 1992gas phase; Acid: anisole. Between HO- and m,p-methoxyphenide; B
Quantity Value Units Method Reference Comment
Deltar391.0 ± 3.0kcal/molIMRBDahlke and Kass, 1992gas phase; Acid: anisole. Between HO- and m,p-methoxyphenide; B

C7H7O- + Hydrogen cation = Anisole

By formula: C7H7O- + H+ = C7H8O

Quantity Value Units Method Reference Comment
Deltar401.7 ± 3.1kcal/molG+TSDahlke and Kass, 1992gas phase; Acid: anisole. Between o-OMe-phenide and Me2NH.; B
Quantity Value Units Method Reference Comment
Deltar394.0 ± 3.0kcal/molIMRBDahlke and Kass, 1992gas phase; Acid: anisole. Between o-OMe-phenide and Me2NH.; B

Chlorine anion + Anisole = (Chlorine anion bullet Anisole)

By formula: Cl- + C7H8O = (Cl- bullet C7H8O)

Quantity Value Units Method Reference Comment
Deltar7.30kcal/molTDEqFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
7.3300.PHPMSFrench, Ikuta, et al., 1982gas phase; M

Hydrogen iodide + p-Iodoanisole = Anisole + Iodine

By formula: HI + C7H7IO = C7H8O + I2

Quantity Value Units Method Reference Comment
Deltar-6.9 ± 1.2kcal/molCmBrennan and Ubbelohde, 1956gas phase; ALS

(Lithium ion (1+) bullet Anisole) + Anisole = (Lithium ion (1+) bullet 2Anisole)

By formula: (Li+ bullet C7H8O) + C7H8O = (Li+ bullet 2C7H8O)

Quantity Value Units Method Reference Comment
Deltar29.0 ± 0.9kcal/molCIDTAmunugama and Rodgers, 2003RCD

(Sodium ion (1+) bullet Anisole) + Anisole = (Sodium ion (1+) bullet 2Anisole)

By formula: (Na+ bullet C7H8O) + C7H8O = (Na+ bullet 2C7H8O)

Quantity Value Units Method Reference Comment
Deltar21.4 ± 0.6kcal/molCIDTAmunugama and Rodgers, 2003RCD

(Cesium ion (1+) bullet Anisole) + Anisole = (Cesium ion (1+) bullet 2Anisole)

By formula: (Cs+ bullet C7H8O) + C7H8O = (Cs+ bullet 2C7H8O)

Quantity Value Units Method Reference Comment
Deltar14.7 ± 0.9kcal/molCIDTAmunugama and Rodgers, 2003RCD

(Rubidium ion (1+) bullet Anisole) + Anisole = (Rubidium ion (1+) bullet 2Anisole)

By formula: (Rb+ bullet C7H8O) + C7H8O = (Rb+ bullet 2C7H8O)

Quantity Value Units Method Reference Comment
Deltar15.2 ± 0.8kcal/molCIDTAmunugama and Rodgers, 2003RCD

(Potassium ion (1+) bullet Anisole) + Anisole = (Potassium ion (1+) bullet 2Anisole)

By formula: (K+ bullet C7H8O) + C7H8O = (K+ bullet 2C7H8O)

Quantity Value Units Method Reference Comment
Deltar16.7 ± 0.6kcal/molCIDTAmunugama and Rodgers, 2003RCD

Lithium ion (1+) + Anisole = (Lithium ion (1+) bullet Anisole)

By formula: Li+ + C7H8O = (Li+ bullet C7H8O)

Quantity Value Units Method Reference Comment
Deltar44.1 ± 4.5kcal/molCIDTAmunugama and Rodgers, 2003RCD

Sodium ion (1+) + Anisole = (Sodium ion (1+) bullet Anisole)

By formula: Na+ + C7H8O = (Na+ bullet C7H8O)

Quantity Value Units Method Reference Comment
Deltar27.1 ± 2.0kcal/molCIDTAmunugama and Rodgers, 2003RCD

Cesium ion (1+) + Anisole = (Cesium ion (1+) bullet Anisole)

By formula: Cs+ + C7H8O = (Cs+ bullet C7H8O)

Quantity Value Units Method Reference Comment
Deltar15.9 ± 1.2kcal/molCIDTAmunugama and Rodgers, 2003RCD

Rubidium ion (1+) + Anisole = (Rubidium ion (1+) bullet Anisole)

By formula: Rb+ + C7H8O = (Rb+ bullet C7H8O)

Quantity Value Units Method Reference Comment
Deltar17.3 ± 1.0kcal/molCIDTAmunugama and Rodgers, 2003RCD

Potassium ion (1+) + Anisole = (Potassium ion (1+) bullet Anisole)

By formula: K+ + C7H8O = (K+ bullet C7H8O)

Quantity Value Units Method Reference Comment
Deltar18.9 ± 0.7kcal/molCIDTAmunugama and Rodgers, 2003RCD

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), 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
0.24 VN/A
0.24 RN/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), 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
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 C7H8O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.20 ± 0.05eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)200.7kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity192.9kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.25 ± 0.03PIPonomarev, Arapov, et al., 1986LBLHLM
~8.10PEKlasinc, Kovac, et al., 1983LBLHLM
8.24PEBehan, Johnstone, et al., 1976LLK
8.6EIMcLafferty, Bente, et al., 1973LLK
8.20 ± 0.02PEMaier and Turner, 1973LLK
8.37CTSKobayashi, Kobayashi, et al., 1973LLK
8.3 ± 0.1EIGilbert, Leach, et al., 1973LLK
8.20EICooks, Bertrand, et al., 1973LLK
8.18CTSPitt, Carey, et al., 1972LLK
8.8 ± 0.1EIGross, 1972LLK
8.4 ± 0.1EIBrown, 1970RDSH
8.21PEDewar and Worley, 1969RDSH
8.6EIWilliams, Cooks, et al., 1968RDSH
8.22 ± 0.02PIWatanabe, Nakayama, et al., 1962RDSH
8.20 ± 0.02PIWatanabe, 1957RDSH
8.39PEKlasinc, Kovac, et al., 1983Vertical value; LBLHLM
8.45PEFriege and Klessinger, 1979Vertical value; LLK
8.42PEKobayashi, 1978Vertical value; LLK
8.25PEBenoit and Harrison, 1977Vertical value; LLK
8.39PEKobayashi and Nagakura, 1974Vertical value; LLK
8.46PEDewar, Ernstbrunner, et al., 1974Vertical value; LLK
8.42PEBock and Wagner, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H5+13.1 ± 0.1CH3+COPIPECODas, Gilman, et al., 1986LBLHLM
C5H5+13.5?EIHarrison, Haynes, et al., 1965RDSH
C6H5O+11.70 ± 0.05CH3PIPonomarev, Arapov, et al., 1986LBLHLM
C6H5O+11.9 ± 0.1CH3PIPECODas, Gilman, et al., 1986LBLHLM
C6H5O+11.3CH3EIMcLafferty, Bente, et al., 1973LLK
C6H5O+11.8 ± 0.1CH3EIBrown, 1970RDSH
C6H5O+11.9 ± 0.1CH3EIFisher, Palmer, et al., 1964RDSH
C6H5O+11.9 ± 0.1CH3EITait, Shannon, et al., 1962RDSH
C6H6+10.85 ± 0.05CH2OPIZiesel and Lifshitz, 1987LBLHLM
C6H6+11.4 ± 0.1CH2OPIPECODas, Gilman, et al., 1986LBLHLM
C6H6+11.50HCHOEICooks, Bertrand, et al., 1973LLK
C6H6+11.6 ± 0.1HCHOEIGross, 1972LLK
C6H6+11.3 ± 0.1CH2OEIBrown, 1970RDSH
C6H6+11.30?EIHowe and Williams, 1969RDSH
C6H7+12.1 ± 0.1CHOPIPECODas, Gilman, et al., 1986LBLHLM
C6H7+12.1CO+H?EIHarrison, Haynes, et al., 1965RDSH

De-protonation reactions

C7H7O- + Hydrogen cation = Anisole

By formula: C7H7O- + H+ = C7H8O

Quantity Value Units Method Reference Comment
Deltar401.3 ± 3.1kcal/molG+TSDahlke and Kass, 1992gas phase; Acid: anisole. Between o-methoxyphenide and Me2NH.; B
Quantity Value Units Method Reference Comment
Deltar394.0 ± 3.0kcal/molIMRBDahlke and Kass, 1992gas phase; Acid: anisole. Between o-methoxyphenide and Me2NH.; B

C7H7O- + Hydrogen cation = Anisole

By formula: C7H7O- + H+ = C7H8O

Quantity Value Units Method Reference Comment
Deltar398.3 ± 3.1kcal/molG+TSDahlke and Kass, 1992gas phase; Acid: anisole. Between HO- and m,p-methoxyphenide; B
Quantity Value Units Method Reference Comment
Deltar391.0 ± 3.0kcal/molIMRBDahlke and Kass, 1992gas phase; Acid: anisole. Between HO- and m,p-methoxyphenide; B

C7H7O- + Hydrogen cation = Anisole

By formula: C7H7O- + H+ = C7H8O

Quantity Value Units Method Reference Comment
Deltar401.7 ± 3.1kcal/molG+TSDahlke and Kass, 1992gas phase; Acid: anisole. Between o-OMe-phenide and Me2NH.; B
Quantity Value Units Method Reference Comment
Deltar394.0 ± 3.0kcal/molIMRBDahlke and Kass, 1992gas phase; Acid: anisole. Between o-OMe-phenide and Me2NH.; 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), 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
RCD - Robert C. Dunbar

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 + Anisole = (Bromine anion bullet Anisole)

By formula: Br- + C7H8O = (Br- bullet C7H8O)

Quantity Value Units Method Reference Comment
Deltar11.8 ± 1.8kcal/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
Deltar20.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar3.3 ± 1.0kcal/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° (kcal/mol) T (K) Method Reference Comment
3.3423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Chlorine anion + Anisole = (Chlorine anion bullet Anisole)

By formula: Cl- + C7H8O = (Cl- bullet C7H8O)

Quantity Value Units Method Reference Comment
Deltar7.30kcal/molTDEqFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
7.3300.PHPMSFrench, Ikuta, et al., 1982gas phase; M

Cesium ion (1+) + Anisole = (Cesium ion (1+) bullet Anisole)

By formula: Cs+ + C7H8O = (Cs+ bullet C7H8O)

Quantity Value Units Method Reference Comment
Deltar15.9 ± 1.2kcal/molCIDTAmunugama and Rodgers, 2003RCD

(Cesium ion (1+) bullet Anisole) + Anisole = (Cesium ion (1+) bullet 2Anisole)

By formula: (Cs+ bullet C7H8O) + C7H8O = (Cs+ bullet 2C7H8O)

Quantity Value Units Method Reference Comment
Deltar14.7 ± 0.9kcal/molCIDTAmunugama and Rodgers, 2003RCD

Potassium ion (1+) + Anisole = (Potassium ion (1+) bullet Anisole)

By formula: K+ + C7H8O = (K+ bullet C7H8O)

Quantity Value Units Method Reference Comment
Deltar18.9 ± 0.7kcal/molCIDTAmunugama and Rodgers, 2003RCD

(Potassium ion (1+) bullet Anisole) + Anisole = (Potassium ion (1+) bullet 2Anisole)

By formula: (K+ bullet C7H8O) + C7H8O = (K+ bullet 2C7H8O)

Quantity Value Units Method Reference Comment
Deltar16.7 ± 0.6kcal/molCIDTAmunugama and Rodgers, 2003RCD

Lithium ion (1+) + Anisole = (Lithium ion (1+) bullet Anisole)

By formula: Li+ + C7H8O = (Li+ bullet C7H8O)

Quantity Value Units Method Reference Comment
Deltar44.1 ± 4.5kcal/molCIDTAmunugama and Rodgers, 2003RCD

(Lithium ion (1+) bullet Anisole) + Anisole = (Lithium ion (1+) bullet 2Anisole)

By formula: (Li+ bullet C7H8O) + C7H8O = (Li+ bullet 2C7H8O)

Quantity Value Units Method Reference Comment
Deltar29.0 ± 0.9kcal/molCIDTAmunugama and Rodgers, 2003RCD

Sodium ion (1+) + Anisole = (Sodium ion (1+) bullet Anisole)

By formula: Na+ + C7H8O = (Na+ bullet C7H8O)

Quantity Value Units Method Reference Comment
Deltar27.1 ± 2.0kcal/molCIDTAmunugama and Rodgers, 2003RCD

(Sodium ion (1+) bullet Anisole) + Anisole = (Sodium ion (1+) bullet 2Anisole)

By formula: (Na+ bullet C7H8O) + C7H8O = (Na+ bullet 2C7H8O)

Quantity Value Units Method Reference Comment
Deltar21.4 ± 0.6kcal/molCIDTAmunugama and Rodgers, 2003RCD

Rubidium ion (1+) + Anisole = (Rubidium ion (1+) bullet Anisole)

By formula: Rb+ + C7H8O = (Rb+ bullet C7H8O)

Quantity Value Units Method Reference Comment
Deltar17.3 ± 1.0kcal/molCIDTAmunugama and Rodgers, 2003RCD

(Rubidium ion (1+) bullet Anisole) + Anisole = (Rubidium ion (1+) bullet 2Anisole)

By formula: (Rb+ bullet C7H8O) + C7H8O = (Rb+ bullet 2C7H8O)

Quantity Value Units Method Reference Comment
Deltar15.2 ± 0.8kcal/molCIDTAmunugama and Rodgers, 2003RCD

IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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, 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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118514

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.


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), Notes

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

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Notes

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