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:
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: 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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
- NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
- NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -30.67 ± 0.21 | kcal/mol | Ccb | Cox, 1961 | ALS |
| ΔfH°gas | -30.74 ± 0.22 | kcal/mol | Ccb | Andon, Biddiscombe, et al., 1960 | ALS |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 9.135 | 50. | Kudchadker S.A., 1978 | Selected entropy values at 298.15 and 400 K are lower than the experimental ones by 2.2 and 2.1 J/mol*K, respectively. The discrepancy is close to the experimental uncertainty. The same entropy values calculated by [ Green J.H.S., 1962] are greater than the observed by 2.8 and 3.9 J/mol*K.; GT |
| 14.14 | 100. | ||
| 17.95 | 150. | ||
| 21.81 | 200. | ||
| 28.164 | 273.15 | ||
| 30.425 | 298.15 | ||
| 30.593 | 300. | ||
| 39.271 | 400. | ||
| 46.675 | 500. | ||
| 52.684 | 600. | ||
| 57.565 | 700. | ||
| 61.587 | 800. | ||
| 64.955 | 900. | ||
| 67.806 | 1000. | ||
| 70.237 | 1100. | ||
| 72.323 | 1200. | ||
| 74.118 | 1300. | ||
| 75.672 | 1400. | ||
| 77.020 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry 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 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°liquid | -48.3 | kcal/mol | Ccb | Pushin, 1954 | Author's hf298_condensed=-50.6 kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -883.3 | kcal/mol | Ccb | Pushin, 1954 | Author's hf298_condensed=-50.6 kcal/mol; Corresponding ΔfHºliquid = -48.3 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -48.84 | kcal/mol | Ccb | Cox, 1961 | ALS |
| ΔfH°solid | -48.91 ± 0.22 | kcal/mol | Ccb | Andon, Biddiscombe, et al., 1960 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -882.79 ± 0.10 | kcal/mol | Ccb | Cox, 1961 | Corresponding ΔfHºsolid = -48.83 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°solid | -882.72 ± 0.24 | kcal/mol | Ccb | Andon, Biddiscombe, et al., 1960 | Corresponding ΔfHºsolid = -48.90 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°solid | -883.7 | kcal/mol | Ccb | Barker, 1925 | Author was aware that data differs from previously reported values; Corresponding ΔfHºsolid = -47.9 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 39.541 | cal/mol*K | N/A | Andon, Counsell, et al., 1967 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 55.83 | 313. | Rastorguev and Ganiev, 1967 | T = 313 to 373 K.; DH |
| 53.99 | 283. | Bramley, 1916 | Mean value, 0 to 20 C.; DH |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 36.941 | 298.15 | Andon, Counsell, et al., 1967 | T = 10 to 400 K.; DH |
Mass spectrum (electron ionization)
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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
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 | Japan AIST/NIMC Database- Spectrum MS-NW-6819 |
| NIST MS number | 228359 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.
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]
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]
Green J.H.S., 1962
Green J.H.S.,
Normal frequencies, thermodynamic properties and equilibrium of the cresols,
Chem. Ind. (London), 1962, 1575-1576. [all data]
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]
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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.