Phenol, 2-methyl-

Formula: C₇H₈O
Molecular weight: 108.1378
IUPAC Standard InChI: InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
IUPAC Standard InChIKey: QWVGKYWNOKOFNN-UHFFFAOYSA-N
CAS Registry Number: 95-48-7
Chemical structure:
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Other names: o-Cresol; o-Hydroxytoluene; o-Methylphenol; o-Methylphenylol; o-Oxytoluene; 1-Hydroxy-2-methylbenzene; 2-Cresol; 2-Hydroxytoluene; 2-Methylphenol; Orthocresol; o-Kresol; Rcra waste number U052; o-Cresylic acid; 1-Methyl-2-hydroxybenzene; NSC 23076; o-Toluol
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Condensed phase thermochemistry data

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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
Δ_fH°_liquid	-202.	kJ/mol	Ccb	Pushin, 1954	Author's hf298_condensed=-50.6 kcal/mol; ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-3696.	kJ/mol	Ccb	Pushin, 1954	Author's hf298_condensed=-50.6 kcal/mol; Corresponding Δ_fHº_liquid = -202. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_solid	-204.3	kJ/mol	Ccb	Cox, 1961	ALS
Δ_fH°_solid	-204.6 ± 0.92	kJ/mol	Ccb	Andon, Biddiscombe, et al., 1960	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_solid	-3693.6 ± 0.42	kJ/mol	Ccb	Cox, 1961	Corresponding Δ_fHº_solid = -204.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_solid	-3693.3 ± 1.0	kJ/mol	Ccb	Andon, Biddiscombe, et al., 1960	Corresponding Δ_fHº_solid = -204.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_solid	-3697.	kJ/mol	Ccb	Barker, 1925	Author was aware that data differs from previously reported values; Corresponding Δ_fHº_solid = -200. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_{solid,1 bar}	165.44	J/mol*K	N/A	Andon, Counsell, et al., 1967	DH

Constant pressure heat capacity of liquid

C_p,liquid (J/mol*K)	Temperature (K)	Reference	Comment
233.6	313.	Rastorguev and Ganiev, 1967	T = 313 to 373 K.; DH
225.9	283.	Bramley, 1916	Mean value, 0 to 20 C.; DH

Constant pressure heat capacity of solid

C_p,solid (J/mol*K)	Temperature (K)	Reference	Comment
154.56	298.15	Andon, Counsell, et al., 1967	T = 10 to 400 K.; DH

References

Go To: Top, Condensed phase thermochemistry data, Notes

Pushin, 1954
Pushin, N.A., Heats of combustion and heats of formation of isomeric organic compounds, Bull. Soc. Chim. Belgrade, 1954, 19, 531-547. [all data]

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]

Barker, 1925
Barker, M.F., Calorific value and constitution, J. Phys. Chem., 1925, 29, 1345-1363. [all data]

Andon, Counsell, et al., 1967
Andon, R.J.L.; Counsell, J.F.; Lees, E.B.; Martin, J.F.; Mash, C.J., Thermodynamic properties of organic oxygen compounds. Part 17. Low-temperature heat capacity and entropy of the cresols, Trans. Faraday Soc., 1967, 63, 1115-1121. [all data]

Rastorguev and Ganiev, 1967
Rastorguev, Yu.L.; Ganiev, Yu.A., Study of the heat capacity of selected solvents, Izv. Vyssh. Uchebn. Zaved. Neft Gaz. 10, 1967, No.1, 79-82. [all data]

Bramley, 1916
Bramley, A., The study of binary mixtures. Part IV. Heats of reaction and specific heats, J. Chem. Soc. (London), 1916, 109, 496-515. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, References

Symbols used in this document:

C_p,liquid	Constant pressure heat capacity of liquid
C_p,solid	Constant pressure heat capacity of solid
S°_{solid,1 bar}	Entropy of solid at standard conditions (1 bar)
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_cH°_solid	Enthalpy of combustion of solid at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
Δ_fH°_solid	Enthalpy of formation of solid at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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