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
View 3d structure (requires JavaScript / HTML 5) - 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, Phase change data, Henry's Law data, 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 | -67.9 ± 1.2 | kJ/mol | Ccb | Fenwick, Harrop, et al., 1975 | Author was aware that data differs from previously reported values; ALS |
ΔfH°gas | -76.69 ± 0.92 | kJ/mol | Ccb | Lebedeva and Katin, 1972 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -82. ± 1. kJ/mol; ALS |
ΔfH°gas | -70.7 | kJ/mol | Ccb | Gray and Williams, 1959 | Private communication; ALS |
ΔfH°gas | -75.1 | kJ/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 (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
162.46 | 388.15 | Hales J.L., 1967 | GT |
168.82 | 408.15 | ||
176.98 | 433.15 | ||
183.05 | 453.15 | ||
188.99 | 473.15 | ||
195.94 | 498.15 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Henry's Law data, 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 |
---|---|---|---|---|---|
Tboil | 427.0 ± 0.9 | K | AVG | N/A | Average of 19 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 250. ± 40. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 643. ± 4. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 42.0 ± 0.5 | bar | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.93 | mol/l | N/A | Wilson, Wilson, et al., 1996 | Uncertainty assigned by TRC = 0.092 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 44. ± 7. | kJ/mol | AVG | N/A | Average of 13 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
38.97 | 426.8 | N/A | Majer and Svoboda, 1985 | |
41.8 | 397. | N/A | Reich and Sanhueza, 1993 | Based on data from 382. to 429. K.; AC |
41.9 | 397. | A | Stephenson and Malanowski, 1987 | Based on data from 382. to 437. K. See also Ambrose, Ellender, et al., 1976.; AC |
39.0 | 426. | N/A | Ambrose, Ellender, et al., 1976 | Based on data from 282. to 437. K.; AC |
42.9 ± 0.1 | 367. | C | Hales, Lees, et al., 1967 | AC |
42.0 ± 0.1 | 382. | C | Hales, Lees, et al., 1967 | AC |
40.5 ± 0.1 | 402. | C | Hales, Lees, et al., 1967 | AC |
38.9 ± 0.1 | 427. | C | Hales, Lees, et al., 1967 | AC |
41.9 | 397. | N/A | von Terres, Gebert, et al., 1955 | Based on data from 382. to 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)
(kJ/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 427. | 63.45 | 0.2787 | 644.1 | Majer 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 |
---|---|---|---|---|
383.03 to 437.26 | 4.17726 | 1489.756 | -69.607 | Collerson, Counsell, et al., 1965, 2 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.66 | 237. | Domalski and Hearing, 1996 | See also Lee, Lien, et al., 1994.; AC |
12.89 | 236. | Domalski and Hearing, 1996 | AC |
17.029 | 293.2 | Eykman, 1889 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
58.1 | 293.2 | Eykman, 1889 | DH |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
12.890 | 268.73 | crystaline, I | liquid | Goates, Boerio-Goates, et al., 1987 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
48.0 | 268.73 | crystaline, I | liquid | Goates, Boerio-Goates, et al., 1987 | DH |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Phase change data, 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) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
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)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference |
---|---|---|---|
0.24 | V | N/A | |
0.24 | R | N/A |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, 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]
Wilson, Wilson, et al., 1996
Wilson, L.C.; Wilson, H.L.; Wilding, W.V.; Wilson, G.M.,
Critical Point Measurements for Fourteen Compounds by a Static Method and a Flow Method,
J. Chem. Eng. Data, 1996, 41, 1252-4. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Reich and Sanhueza, 1993
Reich, Ricardo; Sanhueza, Vilma,
Vapor-liquid equilibria for .alpha.-pinene or .beta.-pinene with anisole,
J. Chem. Eng. Data, 1993, 38, 3, 341-343, https://doi.org/10.1021/je00011a001
. [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]
Ambrose, Ellender, et al., 1976
Ambrose, D.; Ellender, J.H.; Sprake, C.H.S.; Townsend, R.,
Thermodynamic properties of organic oxygen compounds XLIII. Vapour pressures of some ethers,
The Journal of Chemical Thermodynamics, 1976, 8, 2, 165-178, https://doi.org/10.1016/0021-9614(76)90090-2
. [all data]
Hales, Lees, et al., 1967
Hales, J.L.; Lees, E.B.; Ruxton, D.J.,
Thermodynamic properties of organic oxygen compounds. Part 18.-Vapour 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. [all data]
von Terres, Gebert, et al., 1955
von Terres, E.; Gebert, F.; Hulsemann, H.; Petereit, H.; Toepsch, H.; Ruppert, W.,
Brennst.-Chem., 1955, 36, 272. [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]
Collerson, Counsell, et al., 1965, 2
Collerson, R.R.; Counsell, J.F.; Handley, R.; Martin, J.F.; Sprake, C.H.S.,
Thermodynamic Properties of Organic Oxygen Compounds. Part XV. Purification and Vapour Pressures of Some Ketones and Ethers,
J. Chem. Soc., 1965, 3697-3700, https://doi.org/10.1039/jr9650003697
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Lee, Lien, et al., 1994
Lee, Ming-Jer; Lien, Pei-Jung; Huang, Wen-Kuo,
Solid-Liquid Equilibria for Binary Mixtures Containing Cresols, Ethylenediamine, and Anisole,
Ind. Eng. Chem. Res., 1994, 33, 11, 2853-2858, https://doi.org/10.1021/ie00035a040
. [all data]
Eykman, 1889
Eykman, J.F.,
Zur kryoskopischen Molekulargewichtsbestimmung,
Z. Physik. Chem., 1889, 4, 497-519. [all data]
Goates, Boerio-Goates, et al., 1987
Goates, J.R.; Boerio-Goates, J.; Goates, S.R.; Ott, J.B.,
(Solid + liquid) phase equilibria for (N,N-dimethylacetamide + tetrachloromethane): enthalpies of melting of pure components and enthalpies for formation of molecular addition compounds from phase equilibria,
J. Chem. Thermodynam., 1987, 19, 103-107. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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