Benzenemethanol, α-methyl-
- Formula: C8H10O
- Molecular weight: 122.1644
- IUPAC Standard InChIKey: WAPNOHKVXSQRPX-UHFFFAOYSA-N
- CAS Registry Number: 98-85-1
- 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. - Stereoisomers:
- Other names: Benzyl alcohol, α-methyl-; α-Methylbenzyl alcohol; α-Phenethyl alcohol; α-Phenylethanol; α-Phenylethyl alcohol; (1-Hydroxyethyl)benzene; Ethanol, 1-phenyl-; Methylphenylcarbinol; Phenylmethylcarbinol; Styralyl alcohol; 1-Phenethyl alcohol; 1-Phenyl-1-hydroxyethane; 1-Phenylethanol; 1-Phenylethyl alcohol; sec-Phenethyl alcohol; dl-α-Methylbenzyl alcohol; Methanol, methylphenyl-; NCI-C55685; 1-Fenylethanol; Fenyl-methylkarbinol; Styrallyl alcohol; UN 2937; α-Methylbenzenemethanol; α-Hydroxyethylbenzene; NSC 25502; (S)-α-Methyl-benzenemethanol; alcohol methyl benzylic
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Phase change data
Go To: Top, 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:
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 476.55 | K | N/A | Anonymous, 1958 | TRC |
Tboil | 475.65 | K | N/A | Zeiss and Tsutsui, 1953 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 492.6 | K | N/A | Lecat, 1926 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 294.55 | K | N/A | Anonymous, 1958 | TRC |
Tfus | 288. | K | N/A | Huckel and Wenzke, 1944 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 75.2 | kJ/mol | EB | Chylinski, Fras, et al., 2004 | Based on data from 358. to 398. K.; AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
477.2 | 0.993 | Weast and Grasselli, 1989 | BS |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
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
C8H9O- + =
By formula: C8H9O- + H+ = C8H10O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1540. ± 10. | kJ/mol | G+TS | Abboud, Koppel, et al., 2013 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1513. ± 10. | kJ/mol | IMRE | Abboud, Koppel, et al., 2013 | gas phase |
ΔrG° | 1512. ± 12. | kJ/mol | CIDC | Graul, Schnute, et al., 1990 | gas phase |
References
Go To: Top, Phase change 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.
Anonymous, 1958
Anonymous, X.,
Am. Pet. Inst. Res. Proj. 50, 1958, Unpublished, 1958. [all data]
Zeiss and Tsutsui, 1953
Zeiss, H.H.; Tsutsui, M.,
The Carbon-Oxygen Absorption Band in the Infrared Spectra of Alcohols,
J. Am. Chem. Soc., 1953, 75, 897. [all data]
Lecat, 1926
Lecat, M.,
New binary azeotropes: 3rd list,
Ann. Soc. Sci. Bruxelles, Ser. B, 1926, 45, 284-94. [all data]
Huckel and Wenzke, 1944
Huckel, W.; Wenzke, U.,
The Association of Aromatic Alcohols,
Z. Phys. Chem. (Leipzig), 1944, 193, 132-61. [all data]
Chylinski, Fras, et al., 2004
Chylinski, Krzysztof; Fras, Zbigniew; Malanowski, Stanislaw K.,
Vapor-Liquid Equilibrium for Phenol + α-Methyl Benzyl Alcohol and 2-Ethoxyethanol + n -Butyl Formate «8224»,
J. Chem. Eng. Data, 2004, 49, 1, 2-6, https://doi.org/10.1021/je025566c
. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Abboud, Koppel, et al., 2013
Abboud, J.L.M.; Koppel, I.A.; Koppel, I.,
Additivity of substituent effects on the acidity of alcohols,
J. Phys. Org. Chem., 2013, 26, 6, 467-472, https://doi.org/10.1002/poc.3110
. [all data]
Graul, Schnute, et al., 1990
Graul, S.T.; Schnute, M.E.; Squires, R.R.,
Gas-Phase Acidities of Carboxylic Acids and Alcohols from Collision-Induced Dissociation of Dimer Cluster Ions,
Int. J. Mass Spectrom. Ion Proc., 1990, 96, 2, 181, https://doi.org/10.1016/0168-1176(90)87028-F
. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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