Anisole
- Formula: C7H8O
- Molecular weight: 108.1378
- IUPAC Standard InChIKey: RDOXTESZEPMUJZ-UHFFFAOYSA-N
- CAS Registry Number: 100-66-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Benzene, methoxy-; Anizol; Methoxybenzene; Methyl phenyl ether; Phenyl methyl ether; Ether, methyl phenyl-; UN 2222; Phenoxymethane; Anisol; NSC 7920
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Gas phase thermochemistry data
Go To: Top, 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 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 |
---|---|---|---|---|---|
ΔfH°gas | -16.24 ± 0.29 | kcal/mol | Ccb | Fenwick, Harrop, et al., 1975 | Author was aware that data differs from previously reported values; ALS |
ΔfH°gas | -18.33 ± 0.22 | kcal/mol | Ccb | Lebedeva and Katin, 1972 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -19.6 ± 0.3 kcal/mol; ALS |
ΔfH°gas | -16.9 | kcal/mol | Ccb | Gray and Williams, 1959 | Private communication; ALS |
ΔfH°gas | -17.9 | kcal/mol | N/A | Badoche, 1941 | Value computed using ΔfHliquid° value of -118.4 kj/mol from Badoche, 1941 and ΔvapH° 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 |
---|---|---|---|
38.829 | 388.15 | Hales J.L., 1967 | GT |
40.349 | 408.15 | ||
42.299 | 433.15 | ||
43.750 | 453.15 | ||
45.170 | 473.15 | ||
46.831 | 498.15 |
Reaction thermochemistry data
Go To: Top, Gas phase 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 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
By formula: Br- + C7H8O = (Br- • C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.3 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.3 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
C7H7O- + =
By formula: C7H7O- + H+ = C7H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 401.3 ± 3.1 | kcal/mol | G+TS | Dahlke and Kass, 1992 | gas phase; Acid: anisole. Between o-methoxyphenide and Me2NH.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 394.0 ± 3.0 | kcal/mol | IMRB | Dahlke and Kass, 1992 | gas phase; Acid: anisole. Between o-methoxyphenide and Me2NH.; B |
C7H7O- + =
By formula: C7H7O- + H+ = C7H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 398.3 ± 3.1 | kcal/mol | G+TS | Dahlke and Kass, 1992 | gas phase; Acid: anisole. Between HO- and m,p-methoxyphenide; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 391.0 ± 3.0 | kcal/mol | IMRB | Dahlke and Kass, 1992 | gas phase; Acid: anisole. Between HO- and m,p-methoxyphenide; B |
C7H7O- + =
By formula: C7H7O- + H+ = C7H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 401.7 ± 3.1 | kcal/mol | G+TS | Dahlke and Kass, 1992 | gas phase; Acid: anisole. Between o-OMe-phenide and Me2NH.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 394.0 ± 3.0 | kcal/mol | IMRB | Dahlke and Kass, 1992 | gas phase; Acid: anisole. Between o-OMe-phenide and Me2NH.; B |
By formula: Cl- + C7H8O = (Cl- • C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.30 | kcal/mol | TDEq | French, Ikuta, et al., 1982 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.3 | 300. | PHPMS | French, Ikuta, et al., 1982 | gas phase; M |
By formula: HI + C7H7IO = C7H8O + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -6.9 ± 1.2 | kcal/mol | Cm | Brennan and Ubbelohde, 1956 | gas phase; ALS |
By formula: (Li+ • C7H8O) + C7H8O = (Li+ • 2C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.0 ± 0.9 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
By formula: (Na+ • C7H8O) + C7H8O = (Na+ • 2C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.4 ± 0.6 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
By formula: (Cs+ • C7H8O) + C7H8O = (Cs+ • 2C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.7 ± 0.9 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
By formula: (Rb+ • C7H8O) + C7H8O = (Rb+ • 2C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.2 ± 0.8 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
By formula: (K+ • C7H8O) + C7H8O = (K+ • 2C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.7 ± 0.6 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
By formula: Li+ + C7H8O = (Li+ • C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.1 ± 4.5 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
By formula: Na+ + C7H8O = (Na+ • C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.1 ± 2.0 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
By formula: Cs+ + C7H8O = (Cs+ • C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.9 ± 1.2 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
By formula: Rb+ + C7H8O = (Rb+ • C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.3 ± 1.0 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
By formula: K+ + C7H8O = (K+ • C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.9 ± 0.7 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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 ± 0.05 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 200.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 192.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.25 ± 0.03 | PI | Ponomarev, Arapov, et al., 1986 | LBLHLM |
~8.10 | PE | Klasinc, Kovac, et al., 1983 | LBLHLM |
8.24 | PE | Behan, Johnstone, et al., 1976 | LLK |
8.6 | EI | McLafferty, Bente, et al., 1973 | LLK |
8.20 ± 0.02 | PE | Maier and Turner, 1973 | LLK |
8.37 | CTS | Kobayashi, Kobayashi, et al., 1973 | LLK |
8.3 ± 0.1 | EI | Gilbert, Leach, et al., 1973 | LLK |
8.20 | EI | Cooks, Bertrand, et al., 1973 | LLK |
8.18 | CTS | Pitt, Carey, et al., 1972 | LLK |
8.8 ± 0.1 | EI | Gross, 1972 | LLK |
8.4 ± 0.1 | EI | Brown, 1970 | RDSH |
8.21 | PE | Dewar and Worley, 1969 | RDSH |
8.6 | EI | Williams, Cooks, et al., 1968 | RDSH |
8.22 ± 0.02 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
8.20 ± 0.02 | PI | Watanabe, 1957 | RDSH |
8.39 | PE | Klasinc, Kovac, et al., 1983 | Vertical value; LBLHLM |
8.45 | PE | Friege and Klessinger, 1979 | Vertical value; LLK |
8.42 | PE | Kobayashi, 1978 | Vertical value; LLK |
8.25 | PE | Benoit and Harrison, 1977 | Vertical value; LLK |
8.39 | PE | Kobayashi and Nagakura, 1974 | Vertical value; LLK |
8.46 | PE | Dewar, Ernstbrunner, et al., 1974 | Vertical value; LLK |
8.42 | PE | Bock and Wagner, 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C5H5+ | 13.1 ± 0.1 | CH3+CO | PIPECO | Das, Gilman, et al., 1986 | LBLHLM |
C5H5+ | 13.5 | ? | EI | Harrison, Haynes, et al., 1965 | RDSH |
C6H5O+ | 11.70 ± 0.05 | CH3 | PI | Ponomarev, Arapov, et al., 1986 | LBLHLM |
C6H5O+ | 11.9 ± 0.1 | CH3 | PIPECO | Das, Gilman, et al., 1986 | LBLHLM |
C6H5O+ | 11.3 | CH3 | EI | McLafferty, Bente, et al., 1973 | LLK |
C6H5O+ | 11.8 ± 0.1 | CH3 | EI | Brown, 1970 | RDSH |
C6H5O+ | 11.9 ± 0.1 | CH3 | EI | Fisher, Palmer, et al., 1964 | RDSH |
C6H5O+ | 11.9 ± 0.1 | CH3 | EI | Tait, Shannon, et al., 1962 | RDSH |
C6H6+ | 10.85 ± 0.05 | CH2O | PI | Ziesel and Lifshitz, 1987 | LBLHLM |
C6H6+ | 11.4 ± 0.1 | CH2O | PIPECO | Das, Gilman, et al., 1986 | LBLHLM |
C6H6+ | 11.50 | HCHO | EI | Cooks, Bertrand, et al., 1973 | LLK |
C6H6+ | 11.6 ± 0.1 | HCHO | EI | Gross, 1972 | LLK |
C6H6+ | 11.3 ± 0.1 | CH2O | EI | Brown, 1970 | RDSH |
C6H6+ | 11.30 | ? | EI | Howe and Williams, 1969 | RDSH |
C6H7+ | 12.1 ± 0.1 | CHO | PIPECO | Das, Gilman, et al., 1986 | LBLHLM |
C6H7+ | 12.1 | CO+H? | EI | Harrison, Haynes, et al., 1965 | RDSH |
De-protonation reactions
C7H7O- + =
By formula: C7H7O- + H+ = C7H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 401.3 ± 3.1 | kcal/mol | G+TS | Dahlke and Kass, 1992 | gas phase; Acid: anisole. Between o-methoxyphenide and Me2NH.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 394.0 ± 3.0 | kcal/mol | IMRB | Dahlke and Kass, 1992 | gas phase; Acid: anisole. Between o-methoxyphenide and Me2NH.; B |
C7H7O- + =
By formula: C7H7O- + H+ = C7H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 398.3 ± 3.1 | kcal/mol | G+TS | Dahlke and Kass, 1992 | gas phase; Acid: anisole. Between HO- and m,p-methoxyphenide; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 391.0 ± 3.0 | kcal/mol | IMRB | Dahlke and Kass, 1992 | gas phase; Acid: anisole. Between HO- and m,p-methoxyphenide; B |
C7H7O- + =
By formula: C7H7O- + H+ = C7H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 401.7 ± 3.1 | kcal/mol | G+TS | Dahlke and Kass, 1992 | gas phase; Acid: anisole. Between o-OMe-phenide and Me2NH.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 394.0 ± 3.0 | kcal/mol | IMRB | Dahlke and Kass, 1992 | gas phase; Acid: anisole. Between o-OMe-phenide and Me2NH.; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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
By formula: Br- + C7H8O = (Br- • C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.3 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.3 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: Cl- + C7H8O = (Cl- • C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.30 | kcal/mol | TDEq | French, Ikuta, et al., 1982 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.3 | 300. | PHPMS | French, Ikuta, et al., 1982 | gas phase; M |
By formula: Cs+ + C7H8O = (Cs+ • C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.9 ± 1.2 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
By formula: (Cs+ • C7H8O) + C7H8O = (Cs+ • 2C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.7 ± 0.9 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
By formula: K+ + C7H8O = (K+ • C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.9 ± 0.7 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
By formula: (K+ • C7H8O) + C7H8O = (K+ • 2C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.7 ± 0.6 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
By formula: Li+ + C7H8O = (Li+ • C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.1 ± 4.5 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
By formula: (Li+ • C7H8O) + C7H8O = (Li+ • 2C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.0 ± 0.9 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
By formula: Na+ + C7H8O = (Na+ • C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.1 ± 2.0 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
By formula: (Na+ • C7H8O) + C7H8O = (Na+ • 2C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.4 ± 0.6 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
By formula: Rb+ + C7H8O = (Rb+ • C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.3 ± 1.0 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
By formula: (Rb+ • C7H8O) + C7H8O = (Rb+ • 2C7H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.2 ± 0.8 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Download spectrum in JCAMP-DX format.
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 |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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.
Fenwick, Harrop, et al., 1975
Fenwick, J.O.; Harrop, D.; Head, A.J.,
Thermodynamic properties of organic oxygen compounds. 41. Enthalpies of formation of eight ethers,
J. Chem. Thermodyn., 1975, 7, 943-954. [all data]
Lebedeva and Katin, 1972
Lebedeva, N.D.; Katin, Yu.A.,
Heats of combustion of certain monosubstituted benzenes,
Russ. J. Phys. Chem. (Engl. Transl.), 1972, 46, 1088. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Gray and Williams, 1959
Gray, P.; Williams, A.,
Chemistry of free radicals containing oxygen. Part 3.- Thermochemistry and reactivity of the higher alkoxyl radicals RO·,
Trans. Faraday Soc., 1959, 55, 760-777. [all data]
Badoche, 1941
Badoche, M.,
No 19. - Chaleurs de combustion du phenol, du-m-cresol et del leurs ethers; par M. Marius BADOCHE.,
Bull. Soc. Chim. Fr., 1941, 8, 212-220. [all data]
Hales J.L., 1967
Hales J.L.,
Thermodynamic properties of organic oxygen compounds. Part 18. Vapor heat capacities and heats of vaporization of ethyl ketone, ethyl propyl ketone, methyl isopropyl ketone, and methyl phenyl ether,
Trans. Faraday Soc., 1967, 63, 1876-1879. [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]
Dahlke and Kass, 1992
Dahlke, G.D.; Kass, S.R.,
The Ortho-dehydrophenoxy Anion,
Int. J. Mass Spectrom. Ion Proc., 1992, 117, 633, https://doi.org/10.1016/0168-1176(92)80117-J
. [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]
Brennan and Ubbelohde, 1956
Brennan, D.; Ubbelohde, A.R.,
A thermochemical evaluation of bond strengths in some carbon compounds. Part IV. Bond-strength differences based on the reaction: RI + HI = RH + I2, where R = p-methoxyphenyl and cyclohexyl,
J. Chem. Soc., 1956, 3011-3016. [all data]
Amunugama and Rodgers, 2003
Amunugama, R.; Rodgers, M.T.,
Influence of substituents on cation-pi interactions - 5. Absolute binding energies of alkali metal cation-anisole complexes determined by threshold collision-induced dissociation and theoretical studies,
Int. J. Mass Spectrom., 2003, 222, 1-3, 431, https://doi.org/10.1016/S1387-3806(02)00945-4
. [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]
Ponomarev, Arapov, et al., 1986
Ponomarev, D.A.; Arapov, O.V.; Sergeev, Y.L.; Chistyakov, A.B.,
[Title unavailable],
Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1986, 29, 107. [all data]
Klasinc, Kovac, et al., 1983
Klasinc, L.; Kovac, B.; Gusten, H.,
Photoelectron spectra of acenes. Electronic structure and substituent effects,
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Maier and Turner, 1973
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Kobayashi, Kobayashi, et al., 1973
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Ion cyclotron resonance spectrometry. A means of evaluating 'kinetic shifts',
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Brown, 1970
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Kinetic studies in mass spectrometry. VIII. Competing [M-CH3] and [M-CH2O] reactions in substituted anisoles. Approximate activation energies from ionization appearance potentials,
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Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation,
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Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas IE (evaluated) Recommended ionization energy T Temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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