Benzyl alcohol
- Formula: C7H8O
- Molecular weight: 108.1378
- IUPAC Standard InChIKey: WVDDGKGOMKODPV-UHFFFAOYSA-N
- CAS Registry Number: 100-51-6
- 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: Benzenemethanol; α-Hydroxytoluene; α-Toluenol; (Hydroxymethyl)benzene; Benzenecarbinol; Phenylcarbinol; Phenylmethanol; Phenylmethyl alcohol; Methanol, phenyl-; NCI-C06111; Hydroxytoluene; Bentalol; Benzoyl alcohol; Benzenmethanol; Benzylic alcohol; Methanol benzene; NSC 8044; Benzyl Alkohol
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Gas phase thermochemistry data
Go To: Top, Phase change 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
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -94.6 ± 3.0 | kJ/mol | Ccr | Papina, Pimenova, et al., 1995 | ALS |
ΔfH°gas | -100.7 | kJ/mol | N/A | Parks, Manchester, et al., 1954 | Value computed using ΔfHliquid° value of -161.0±1.3 kj/mol from Parks, Manchester, et al., 1954 and ΔvapH° value of 60.3 kj/mol from Papina, Pimenova, et al., 1995.; DRB |
ΔfH°gas | -113.7 | kJ/mol | N/A | Landrieu, Baylocq, et al., 1929 | Value computed using ΔfHliquid° value of -174.0 kj/mol from Landrieu, Baylocq, et al., 1929 and ΔvapH° value of 60.3 kj/mol from Papina, Pimenova, et al., 1995.; DRB |
ΔfH°gas | -106.7 | kJ/mol | N/A | Schmidlin, 1906 | Value computed using ΔfHliquid° value of -167.0 kj/mol from Schmidlin, 1906 and ΔvapH° value of 60.3 kj/mol from Papina, Pimenova, et al., 1995.; DRB |
Phase change 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:
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
DRB - Donald R. Burgess, Jr.
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 |
---|---|---|---|---|---|
Tboil | 478. ± 1. | K | AVG | N/A | Average of 16 out of 18 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 257. ± 2. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 63. ± 6. | kJ/mol | AVG | N/A | Average of 9 values; Individual data points |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
366.2 | 0.013 | Weast and Grasselli, 1989 | BS |
366. | 0.013 | Buckingham and Donaghy, 1982 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
66.2 | 318. | GS | Grayson and Fosbraey, 2006 | Based on data from 303. to 333. K.; AC |
54.6 | 400. | A | Stephenson and Malanowski, 1987 | Based on data from 385. to 573. K. See also Kkykj and Repas, 1973.; AC |
61.5 | 303. | A.ME | Stephenson and Malanowski, 1987 | Based on data from 293. to 313. K. See also Serpinskii, Voitkevich, et al., 1957 and Kkykj and Repas, 1973.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
395.67 to 478.56 | 4.47713 | 1738.9 | -89.559 | Dreisbach and Shrader, 1949 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.79 | 257.6 | Acree, 1991 | AC |
8.970 | 257.6 | Parks, Todd, et al., 1936 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
34.82 | 257.6 | Parks, Todd, et al., 1936 | DH |
Mass spectrum (electron ionization)
Go To: Top, Gas 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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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 | Chemical Concepts |
NIST MS number | 151560 |
References
Go To: Top, Gas phase thermochemistry data, Phase change 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.
Papina, Pimenova, et al., 1995
Papina, T.S.; Pimenova, S.M.; Luk'yanova, V.A.; Kolesov, V.P.,
Standard enthalpies of formation of benzyl alcohol and α,α,α-trichlorotoluene,
Russ. J. Phys. Chem. (Engl. Transl.), 1995, 69, 1951-1953, In original 2148. [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]
Landrieu, Baylocq, et al., 1929
Landrieu, P.; Baylocq, F.; Johnson, J.R.,
Etude thermochimique dans la serie furanique,
Bull. Soc. Chim. France, 1929, 45, 36-49. [all data]
Schmidlin, 1906
Schmidlin, M.J.,
Recherches chimiques et thermochimiques sur la constitution des rosanilines,
Ann. Chim. Phys., 1906, 1, 195-256. [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]
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]
Grayson and Fosbraey, 2006
Grayson, B. Terence; Fosbraey, Lynda A.,
Determination of the vapour pressure of pesticides,
Pestic. Sci., 2006, 13, 3, 269-278, https://doi.org/10.1002/ps.2780130308
. [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]
Kkykj and Repas, 1973
Kkykj, J.; Repas, M.,
Petrochemia, 1973, 13, 179. [all data]
Serpinskii, Voitkevich, et al., 1957
Serpinskii, V.V.; Voitkevich, S.A.; Lyuboshits, N.Yu.,
Zh. Fiz. Khim., 1957, 31, 1278. [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]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Parks, Todd, et al., 1936
Parks, G.S.; Todd, S.S.; Moore, W.A.,
Thermal data on organic compounds. XVI. Some heat capacity, entropy and free energy data for typical benzene derivatives and heterocyclic compounds,
J. Am. Chem. Soc., 1936, 58, 398-401. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion 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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