Phenol
- Formula: C6H6O
- Molecular weight: 94.1112
- IUPAC Standard InChIKey: ISWSIDIOOBJBQZ-UHFFFAOYSA-N
- CAS Registry Number: 108-95-2
- 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. - Isotopologues:
- Other names: Carbolic acid; Baker's P and S Liquid and Ointment; Benzenol; Hydroxybenzene; Izal; Monohydroxybenzene; Monophenol; Oxybenzene; Phenic acid; Phenyl alcohol; Phenyl hydrate; Phenyl hydroxide; Phenylic acid; Phenylic alcohol; PhOH; Benzene, hydroxy-; Acide carbolique; Baker's P & S liquid & Ointment; Fenol; Fenolo; NCI-C50124; Paoscle; Phenole; Carbolsaure; NA 2821; Phenol alcohol; Phenol, molten; Rcra waste number U188; UN 1671; UN 2312; UN 2821; Phenic alcohol; NSC 36808; Campho-Phenique Cold Sore Gel (Salt/Mix); Campho-Phenique Gel (Salt/Mix); Campho-Phenique Liquid (Salt/Mix)
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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 | -23.03 ± 0.14 | kcal/mol | Ccb | Cox, 1961 | ALS |
ΔfH°gas | -23.05 ± 0.15 | kcal/mol | Ccb | Andon, Biddiscombe, et al., 1960 | ALS |
ΔfH°gas | -22.5 | kcal/mol | N/A | Parks, Manchester, et al., 1954 | Value computed using ΔfHsolid° value of -162.8±1.0 kj/mol from Parks, Manchester, et al., 1954 and ΔsubH° value of 68.6 kj/mol from Cox, 1961.; DRB |
ΔfH°gas | -22.8 | kcal/mol | N/A | Badoche, 1941 | Value computed using ΔfHsolid° value of -163.9 kj/mol from Badoche, 1941 and ΔsubH° value of 68.6 kj/mol from Cox, 1961.; DRB |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.105 | 50. | Kudchadker S.A., 1978 | Recommended S(T) and Cp(T) values are in close agreement with statistical values calculated by [ Evans J.C., 1960, Green J.H.S., 1961]. Entropy value calculated by [ Sarin V.N., 1973] agrees well with the third-law entropy at 298.15 K but not at 400 K. Statistical values calculated by [ Ramaswamy V., 1970] seem to be erroneous.; GT |
9.890 | 100. | ||
12.95 | 150. | ||
16.65 | 200. | ||
22.61 | 273.15 | ||
24.670 | 298.15 | ||
24.823 | 300. | ||
32.455 | 400. | ||
38.697 | 500. | ||
43.614 | 600. | ||
47.524 | 700. | ||
50.703 | 800. | ||
53.344 | 900. | ||
55.566 | 1000. | ||
57.459 | 1100. | ||
59.082 | 1200. | ||
60.483 | 1300. | ||
61.692 | 1400. | ||
62.744 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -39.44 | kcal/mol | Ccb | Cox, 1961 | ALS |
ΔfH°solid | -39.46 ± 0.30 | kcal/mol | Ccb | Andon, Biddiscombe, et al., 1960 | ALS |
ΔfH°solid | -38.90 ± 0.25 | kcal/mol | Ccb | Parks, Manchester, et al., 1954 | ALS |
ΔfH°solid | -39.18 | kcal/mol | Ccb | Badoche, 1941 | Author's hf298_condensed=-41.49 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -731. ± 3. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 34.419 | cal/mol*K | N/A | Andon, Counsell, et al., 1963 | DH |
S°solid,1 bar | 34.11 | cal/mol*K | N/A | Parks, Huffman, et al., 1933 | Extrapolation below 90 K, 49.04 J/mol*K.; DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
30.404 | 298.15 | Nichols and Wads, 1975 | DH |
47.75 | 313. | Rastorguev and Ganiev, 1967 | T = 313 to 373 K.; DH |
30.459 | 298.15 | Andon, Counsell, et al., 1963 | T = 13 to 336 K.; DH |
22.4 | 293. | Campbell and Campbell, 1940 | DH |
24.81 | 229.3 | Aoyama and Kanda, 1935 | T = 78 to 229 K. Value is unsmoothed experimental datum.; DH |
31.809 | 295.8 | Parks, Huffman, et al., 1933 | T = 93 to 296 K. Value is unsmoothed experimental datum.; DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
MS - José A. Martinho Simões
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: C6H5O- + H+ = C6H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 349. ± 2. | kcal/mol | AVG | N/A | Average of 6 out of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 342.3 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; Shiner, Vorner, et al., 1986: tautomer acidities ΔHacid(ortho) = 343.9±3.1 kcal, para = 340.1±2 kcal. However, Capponi, Gut, et al., 1999 based on aq. soln. results, imply 18 and 14 kcal/mol difference.; value altered from reference due to change in acidity scale; B |
ΔrG° | 340.8 ± 1.9 | kcal/mol | CIDC | Angel and Ervin, 2004 | gas phase; B |
ΔrG° | 343.4 ± 2.0 | kcal/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
ΔrG° | >341.5 ± 1.8 | kcal/mol | H-TS | Richardson, Stephenson, et al., 1975 | gas phase; B |
By formula: Cl- + C6H6O = (Cl- • C6H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.0 ± 2.0 | kcal/mol | TDAs | French, Ikuta, et al., 1982 | gas phase; B,M |
ΔrH° | 26.0 ± 2.0 | kcal/mol | TDEq | Cummings, French, et al., 1977 | gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B |
ΔrH° | 27.4 | kcal/mol | PHPMS | Kebarle, 1977 | gas phase; M |
ΔrH° | 26.5 | kcal/mol | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
ΔrH° | 19.4 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.0 | cal/mol*K | PHPMS | French, Ikuta, et al., 1982 | gas phase; M |
ΔrS° | 25. | cal/mol*K | PHPMS | Kebarle, 1977 | gas phase; M |
ΔrS° | 25. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 15.5 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 19.2 ± 2.0 | kcal/mol | TDAs | French, Ikuta, et al., 1982 | gas phase; B |
ΔrG° | 18.5 ± 2.0 | kcal/mol | TDEq | Cummings, French, et al., 1977 | gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B |
ΔrG° | 14.8 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15.9 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
By formula: F- + C6H6O = (F- • C6H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.3 | cal/mol*K | N/A | Larson and McMahon, 1983 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 33.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M |
By formula: Br- + C6H6O = (Br- • C6H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.8 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
ΔrH° | 19.6 | kcal/mol | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; 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 |
ΔrS° | 23. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.1 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
11.1 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
11.1 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
By formula: I- + C6H6O = (I- • C6H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.3 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.4 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.4 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
By formula: C2H3O2- + C6H6O = (C2H3O2- • C6H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.1 ± 1.0 | kcal/mol | N/A | Meot-Ner and Sieck, 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.0 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 18.9 ± 1.6 | kcal/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
By formula: Na+ + C6H6O = (Na+ • C6H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.4 ± 0.8 | kcal/mol | CIDT | Amunugama and Rodgers, 2002 | RCD |
ΔrH° | 23.5 ± 0.8 | kcal/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16.7 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
By formula: C6H6O + C12H18O = C9H12O + C9H12O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.2 ± 0.24 | kcal/mol | Eqk | Nesterova, Pimerzin, et al., 1989 | liquid phase; Isomerization; ALS |
ΔrH° | -0.16 ± 0.24 | kcal/mol | Eqk | Nesterova, Pilyshchikov, et al., 1983 | liquid phase; GC; ALS |
C22H20O2Ti (cr) + 2( • 5.55) (solution) = 2 (cr) + (cr)
By formula: C22H20O2Ti (cr) + 2(HCl • 5.55H2O) (solution) = 2C6H6O (cr) + C10H10Cl2Ti (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.4 ± 0.60 | kcal/mol | RSC | Dias, Salema, et al., 1981 | Please also see Calhorda, Carrondo, et al., 1986.; MS |
(solution) + C5H11BrMg (solution) = C6H5BrMgO (solution) + (solution)
By formula: C6H6O (solution) + C5H11BrMg (solution) = C6H5BrMgO (solution) + C5H12 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -48.4 ± 1.0 | kcal/mol | RSC | Holm, 1983 | solvent: Diethyl ether; MS |
C20H32Zr (solution) + (solution) = C26H36OZr (solution) + (g)
By formula: C20H32Zr (solution) + C6H6O (solution) = C26H36OZr (solution) + H2 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -31.69 ± 0.41 | kcal/mol | RSC | Schock and Marks, 1988 | solvent: Toluene; MS |
C26H36OZr (solution) + (solution) = C32H40O2Zr (solution) + (g)
By formula: C26H36OZr (solution) + C6H6O (solution) = C32H40O2Zr (solution) + H2 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -20.7 ± 0.69 | kcal/mol | RSC | Schock and Marks, 1988 | solvent: Toluene; MS |
By formula: C8H8O2 + H2O = C6H6O + C2H4O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -6.86 ± 0.04 | kcal/mol | Cm | Wadso, 1960 | liquid phase; Heat of hydrolysis; ALS |
By formula: C6H6O + C14H22O = C10H14O + C10H14O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.62 ± 0.26 | kcal/mol | Eqk | Nesterova, Pimerzin, et al., 1989 | liquid phase; Isomerization; ALS |
+ C18H30O = +
By formula: C6H6O + C18H30O = C14H22O + C10H14O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.41 ± 0.36 | kcal/mol | Eqk | Nesterova, Pimerzin, et al., 1989 | liquid phase; Isomerization; ALS |
By formula: C6H6O + C14H22O = C10H14O + C10H14O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.76 ± 0.45 | kcal/mol | Eqk | Nesterova, Pimerzin, et al., 1989 | liquid phase; Isomerization; ALS |
By formula: C6H6O + C14H22O = 2C10H14O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.31 ± 0.50 | kcal/mol | Eqk | Nesterova, Pimerzin, et al., 1989 | liquid phase; Isomerization; ALS |
C6H5NaO (cr) + ( • 552) (solution) = (cr) + (cr)
By formula: C6H5NaO (cr) + (HCl • 552H2O) (solution) = C6H6O (cr) + ClNa (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -18.6 ± 1.4 | kcal/mol | RSC | Leal, Pires de Matos, et al., 1991 | MS |
By formula: C6H6O + C14H22O = C10H14O + C10H14O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.02 ± 0.17 | kcal/mol | Eqk | Pil'shchikov, Nesterova, et al., 1981 | liquid phase; ALS |
By formula: C6H6O + C14H22O = C10H14O + C10H14O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.0 ± 0.9 | kcal/mol | Eqk | Pil'shchikov, Nesterova, et al., 1981 | liquid phase; ALS |
By formula: (Li+ • C6H6O) + C6H6O = (Li+ • 2C6H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.4 ± 0.8 | kcal/mol | CIDT | Amunugama and Rodgers, 2002 | RCD |
By formula: (Na+ • C6H6O) + C6H6O = (Na+ • 2C6H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.5 ± 0.8 | kcal/mol | CIDT | Amunugama and Rodgers, 2002 | RCD |
By formula: (Cs+ • C6H6O) + C6H6O = (Cs+ • 2C6H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.5 ± 0.8 | kcal/mol | CIDT | Amunugama and Rodgers, 2002 | RCD |
By formula: (Rb+ • C6H6O) + C6H6O = (Rb+ • 2C6H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.2 ± 0.8 | kcal/mol | CIDT | Amunugama and Rodgers, 2002 | RCD |
By formula: (K+ • C6H6O) + C6H6O = (K+ • 2C6H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.3 ± 0.8 | kcal/mol | CIDT | Amunugama and Rodgers, 2002 | RCD |
(cr) + C10H11ClZr (cr) = C16H15ClOZr (cr) + (g)
By formula: C6H6O (cr) + C10H11ClZr (cr) = C16H15ClOZr (cr) + H2 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -18.6 ± 1.0 | kcal/mol | RSC | Diogo, Simoni, et al., 1993 | MS |
By formula: C6H6O + C14H22O = 2C10H14O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.05 ± 0.13 | kcal/mol | Eqk | Pil'shchikov, Nesterova, et al., 1981 | liquid phase; ALS |
By formula: C6H6O + C14H22O = C10H14O + C10H14O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.0 | kcal/mol | Eqk | Pil'shchikov, Nesterova, et al., 1981 | liquid phase; ALS |
C6H5NaO (cr) + (l) = (cr) + (cr)
By formula: C6H5NaO (cr) + H2O (l) = C6H6O (cr) + HNaO (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.11 ± 0.86 | kcal/mol | RSC | Leal, Pires de Matos, et al., 1991 | MS |
By formula: Li+ + C6H6O = (Li+ • C6H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 42.6 ± 4.0 | kcal/mol | CIDT | Amunugama and Rodgers, 2002 | RCD |
By formula: Cs+ + C6H6O = (Cs+ • C6H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.7 ± 0.8 | kcal/mol | CIDT | Amunugama and Rodgers, 2002 | RCD |
By formula: Rb+ + C6H6O = (Rb+ • C6H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.6 ± 0.8 | kcal/mol | CIDT | Amunugama and Rodgers, 2002 | RCD |
By formula: K+ + C6H6O = (K+ • C6H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.7 ± 0.8 | kcal/mol | CIDT | Amunugama and Rodgers, 2002 | RCD |
By formula: C10H14O = C4H8 + C6H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.6 | kcal/mol | Cm | Kukui, Potolovskii, et al., 1973 | liquid phase; ALS |
By formula: C10H14O = C4H8 + C6H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.8 | kcal/mol | Cm | Kukui, Potolovskii, et al., 1973 | liquid phase; ALS |
By formula: C10H14O = C6H6O + C4H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.0 ± 0.50 | kcal/mol | Eqk | Verevkin, 1982 | gas phase; ALS |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cox, 1961
Cox, J.D.,
The heats of combustion of phenol and the three cresols,
Pure Appl. Chem., 1961, 2, 125-128. [all data]
Andon, Biddiscombe, et al., 1960
Andon, R.J.L.; Biddiscombe, D.P.; Cox, J.D.; Handley, R.; Harrop, D.; Herington, E.F.G.; Martin, J.F.,
Thermodynamic properties of organic oxygen compounds. Part I. Preparation and physical properties of pure phenol, cresols, and xylenols,
J. Chem. Soc., 1960, 5246-5254. [all data]
Parks, Manchester, et al., 1954
Parks, G.S.; Manchester, K.E.; Vaughan, L.M.,
Heats of combustion and formation of some alcohols, phenols, and ketones,
J. Chem. Phys., 1954, 22, 2089-2090. [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]
Kudchadker S.A., 1978
Kudchadker S.A.,
Ideal gas thermodynamic properties of phenol and cresols,
J. Phys. Chem. Ref. Data, 1978, 7, 417-423. [all data]
Evans J.C., 1960
Evans J.C.,
The vibrational spectra phenol and phenol-OD,
Spectrochim. Acta, 1960, 16, 1382-1392. [all data]
Green J.H.S., 1961
Green J.H.S.,
The thermodynamic properties of organic oxygen compounds. II. Vibrational assignment and calculated thermodynamic properties of phenol,
J. Chem. Soc., 1961, 2236-2241. [all data]
Sarin V.N., 1973
Sarin V.N.,
Thermodynamic properties in the gaseous state of certain monosubstituted benzenes,
Thermochim. Acta, 1973, 6, 39-46. [all data]
Ramaswamy V., 1970
Ramaswamy V.,
Thermo data for n-alkyl phenols,
Hydrocarbon Process., 1970, 49, 217-218. [all data]
Andon, Counsell, et al., 1963
Andon, R.J.L.; Counsell, J.F.; Herington, E.F.G.; Martin, J.F.,
Thermodynamic properties of organic oxygen compounds,
Trans. Faraday Soc., 1963, 59, 830-835. [all data]
Parks, Huffman, et al., 1933
Parks, G.S.; Huffman, H.M.; Barmore, M.,
Thermal data on organic compounds. XI. The heat capacities,
entropies and free energies of ten compounds containing oxygen or nitrogen. J. Am. Chem. Soc., 1933, 55, 2733-2740. [all data]
Nichols and Wads, 1975
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Notes
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- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) T Temperature ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid 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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