Phenylethyl Alcohol
- Formula: C8H10O
- Molecular weight: 122.1644
- IUPAC Standard InChIKey: WRMNZCZEMHIOCP-UHFFFAOYSA-N
- CAS Registry Number: 60-12-8
- 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. - Other names: Benzeneethanol; Phenethyl alcohol; β-Hydroxyethylbenzene; β-Phenethyl alcohol; β-Phenylethanol; β-Phenylethyl alcohol; β-PEA; Benzyl Carbinol; Ethanol, 2-phenyl-; Phenethanol; PEA; 2-Phenethyl alcohol; 2-Phenylethanol; 2-Phenylethyl alcohol; Methanol, benzyl-; Phenylethanol; Phenylethyl, beta- alcohol; 2-PEA; β-Fenethylalkohol; β-Fenylethanol; β-Phenethanol; 2-Phenethanol; β-P.E.A.; 1-Phenyl-2-ethanol; Hydroxyethylbenzene; Mellol; Beta-phenylethyl alcohol; Benzenethanol; 1-phenyl-2-ethanol (β-phenylethanol); 2-PhenyIethanol; Benzeneethanol (2-Phenylethanol)
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Condensed phase 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: Eugene S. Domalski and Elizabeth D. Hearing
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference |
---|---|---|
60.382 | 298.15 | Nichols and Wads, 1975 |
Phase change 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 491.4 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 492.55 | K | N/A | Lecat, 1930 | Uncertainty assigned by TRC = 0.4 K; not clear that this is a new measurement; TRC |
Tboil | 492.9 | K | N/A | Norris and Ashdown, 1925 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 254. | K | N/A | Huckel and Wenzke, 1944 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 16. ± 1. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
493.2 | 0.987 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
13.2 | 409. | A | Stephenson and Malanowski, 1987 | Based on data from 394. to 613. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
406.20 to 492.1 | 3.74158 | 1318.142 | -139.694 | Dreisbach and Shrader, 1949 | Coefficents calculated by NIST from author's data. |
331.4 to 492.7 | 5.36118 | 2479.574 | -30.51 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
Go To: Top, Condensed 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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
View reactions leading to C8H10O+ (ion structure unspecified)
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C7H8+ | 10.0 ± 0.1 | ? | EI | Burgers, Terlouw, et al., 1982 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Nichols and Wads, 1975
Nichols, N.; Wads, I.,
Thermochemistry of solutions of biochemical model compounds. 3. Some benzene derivatives in aqueous solution,
J. Chem. Thermodynam., 1975, 7, 329-336. [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]
Lecat, 1930
Lecat, M.,
Azeotropism in Binary Mixtures Containing an Alcohol Mixed with an amine, a nitro derivative, an ether or water.,
Z. Anorg. Allg. Chem., 1930, 186, 119. [all data]
Norris and Ashdown, 1925
Norris, J.F.; Ashdown, A.A.,
The Reactivity of Atoms and Groups in Org. Comp. I. The Relative Reactivities of the Hydroxyl-Hydrogen Atoms in Certain Alochols,
J. Am. Chem. Soc., 1925, 47, 837-46. [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]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]
Dreisbach and Shrader, 1949
Dreisbach, R.R.; Shrader, S.A.,
Vapor Pressure--Temperature Data on Some Organic Compounds,
Ind. Eng. Chem., 1949, 41, 12, 2879-2880, https://doi.org/10.1021/ie50480a054
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Burgers, Terlouw, et al., 1982
Burgers, P.C.; Terlouw, J.K.; Levsen, K.,
Gaseous [C7H8+] ions: [Methylene cyclohexadiene]+, a stable species in the gas phase,
Org. Mass Spectrom., 1982, 17, 295. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid Tboil Boiling point Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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