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Benzyl alcohol

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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
Deltafgas-94.6 ± 3.0kJ/molCcrPapina, Pimenova, et al., 1995ALS
Deltafgas-100.7kJ/molN/AParks, Manchester, et al., 1954Value computed using «DELTA»fHliquid° value of -161.0±1.3 kj/mol from Parks, Manchester, et al., 1954 and «DELTA»vapH° value of 60.3 kj/mol from Papina, Pimenova, et al., 1995.; DRB
Deltafgas-113.7kJ/molN/ALandrieu, Baylocq, et al., 1929Value computed using «DELTA»fHliquid° value of -174.0 kj/mol from Landrieu, Baylocq, et al., 1929 and «DELTA»vapH° value of 60.3 kj/mol from Papina, Pimenova, et al., 1995.; DRB
Deltafgas-106.7kJ/molN/ASchmidlin, 1906Value computed using «DELTA»fHliquid° value of -167.0 kj/mol from Schmidlin, 1906 and «DELTA»vapH° value of 60.3 kj/mol from Papina, Pimenova, et al., 1995.; DRB

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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
Deltafliquid-154.9 ± 3.0kJ/molCcrPapina, Pimenova, et al., 1995ALS
Deltafliquid-161.0 ± 1.3kJ/molCcbParks, Manchester, et al., 1954ALS
Deltafliquid-174.kJ/molCcbLandrieu, Baylocq, et al., 1929ALS
Deltafliquid-167.kJ/molCcbSchmidlin, 1906ALS
Quantity Value Units Method Reference Comment
Deltacliquid-3743.0 ± 2.8kJ/molCcrPapina, Pimenova, et al., 1995Corresponding «DELTA»fliquid = -154.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3736.9kJ/molCcbParks, Manchester, et al., 1954Corresponding «DELTA»fliquid = -161.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3723.kJ/molCcbLandrieu, Baylocq, et al., 1929Corresponding «DELTA»fliquid = -174. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3724.kJ/molCcbBarker, 1925Author was aware that data differs from previously reported values; Corresponding «DELTA»fliquid = -174. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3731.kJ/molCcbSchmidlin, 1906Corresponding «DELTA»fliquid = -167. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid216.7J/mol*KN/AParks, Todd, et al., 1936Extrapolation below 90 K, 54.06 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
223.6307.5Griigo'ev, Yanin, et al., 1979T = 307 to 461 K. p = 0.98 bar.; DH
215.94298.15Nichols and Wads, 1975DH
217.86298.1Parks, Todd, et al., 1936T = 90 to 300 K.; DH
215.9298.5Smith and Andrews, 1931T = 102 to 299 K. Value is unsmoothed experimental datum.; DH
220.5298.von Reis, 1881T = 290 to 485 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, 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
Tboil478. ± 1.KAVGN/AAverage of 16 out of 18 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus257. ± 2.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Deltavap63. ± 6.kJ/molAVGN/AAverage of 9 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
366.20.013Weast and Grasselli, 1989BS
366.0.013Buckingham and Donaghy, 1982BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
66.2318.GSGrayson and Fosbraey, 2006Based on data from 303. - 333. K.; AC
54.6400.AStephenson and Malanowski, 1987Based on data from 385. - 573. K. See also Kkykj and Repas, 1973.; AC
61.5303.A.MEStephenson and Malanowski, 1987Based on data from 293. - 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 - 478.564.477131738.9-89.559Dreisbach and Shrader, 1949Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
8.79257.6Acree, 1991AC
8.970257.6Parks, Todd, et al., 1936DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
34.82257.6Parks, Todd, et al., 1936DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

C7H7O- + Benzyl alcohol = (C7H7O- bullet Benzyl alcohol)

By formula: C7H7O- + C7H8O = (C7H7O- bullet C7H8O)

Quantity Value Units Method Reference Comment
Deltar125. ± 10.kJ/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Deltar99.6kJ/molPHPMSCaldwell and Kebarle, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar97.1J/mol*KPHPMSCaldwell and Kebarle, 1986gas phase; M
Deltar123.J/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar86.6 ± 6.7kJ/molTDAsCaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C8H5- + Benzyl alcohol = (C8H5- bullet Benzyl alcohol)

By formula: C8H5- + C7H8O = (C8H5- bullet C7H8O)

Quantity Value Units Method Reference Comment
Deltar111. ± 12.kJ/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar123.J/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar74.9 ± 8.4kJ/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C7H7O- + Hydrogen cation = Benzyl alcohol

By formula: C7H7O- + H+ = C7H8O

Quantity Value Units Method Reference Comment
Deltar1548. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1520. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

cyclopentadienide anion + Benzyl alcohol = (cyclopentadienide anion bullet Benzyl alcohol)

By formula: C5H5- + C7H8O = (C5H5- bullet C7H8O)

Quantity Value Units Method Reference Comment
Deltar80.3 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar125.J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar43.1 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B

Fluorine anion + Benzyl alcohol = (Fluorine anion bullet Benzyl alcohol)

By formula: F- + C7H8O = (F- bullet C7H8O)

Quantity Value Units Method Reference Comment
Deltar135.6kJ/molN/AMihalick, Gatev, et al., 1996gas phase; affinity derived using a ROH..F. neutral binding energy of 10.3 kcal/mol.; B

Benzene, (iodomethyl)- + Water = Hydrogen iodide + Benzyl alcohol

By formula: C7H7I + H2O = HI + C7H8O

Quantity Value Units Method Reference Comment
Deltar-12.6kJ/molCmGellner and Skinner, 1949liquid phase; Heat of hydrolysis; ALS

Benzene, (bromomethyl)- + Water = Hydrogen bromide + Benzyl alcohol

By formula: C7H7Br + H2O = HBr + C7H8O

Quantity Value Units Method Reference Comment
Deltar-7.9kJ/molCmGellner and Skinner, 1949liquid phase; Heat of hydrloysis; ALS

Benzyl alcohol = Benzaldehyde + Hydrogen

By formula: C7H8O = C7H6O + H2

Quantity Value Units Method Reference Comment
Deltar53.93kJ/molEqkCubberley and Mueller, 1946gas phase; ALS

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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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Mass spectrum
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Additional Data

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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

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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 «alpha»,«alpha»,«alpha»-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]

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

Griigo'ev, Yanin, et al., 1979
Griigo'ev, B.A.; Yanin, G.S.; Rastorguev, Yu.L.; Thermophysical parameters of alcohols, Tr. GIAP, 54, 1979, 57-64. [all data]

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]

Smith and Andrews, 1931
Smith, R.H.; Andrews, D.H., Thermal energy studies. I. Phenyl derivatives of methane, ethane and some related compounds. J. Am. Chem. Soc., 1931, 53, 3644-3660. [all data]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [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]

Caldwell, Rozeboom, et al., 1984
Caldwell, G.; Rozeboom, M.D.; Kiplinger, J.P.; Bartmess, J.E., Anion-alcohol hydrogen bond strengths in the gas phase, J. Am. Chem. Soc., 1984, 106, 4660. [all data]

Paul and Kebarle, 1990
Paul, G.J.C.; Kebarle, P., Thermodynamics of the Association Reactions OH- - H2O = HOHOH- and CH3O- - CH3OH = CH3OHOCH3- in the Gas Phase, J. Phys. Chem., 1990, 94, 12, 5184, https://doi.org/10.1021/j100375a076 . [all data]

Meot-ner and Sieck, 1986
Meot-ner, M.; Sieck, L.W., Relative acidities of water and methanol, and the stabilities of the dimer adducts, J. Phys. Chem., 1986, 90, 6687. [all data]

Caldwell and Kebarle, 1986
Caldwell, G.; Kebarle, P., Mobility of Gaseous Ions in Weak Electric Fields in Unpublished results, 1986. [all data]

Meot-Ner(Mautner), 1986
Meot-Ner(Mautner), M., Comparative Stabilities of Cationic and Anionic Hydrogen-Bonded Networks. Mixed Clusters of Water-Methanol, J. Am. Chem. Soc., 1986, 108, 20, 6189, https://doi.org/10.1021/ja00280a014 . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Meot-ner, 1988
Meot-ner, M., The Ionic Hydrogen Bond and Solvation. 7. Interaction Energies of Carbanions with Solvent Molecules, J. Am. Chem. Soc., 1988, 110, 12, 3858, https://doi.org/10.1021/ja00220a022 . [all data]

Mihalick, Gatev, et al., 1996
Mihalick, J.E.; Gatev, G.G.; Brauman, J.I., Electron Photodetachment Spectroscopy of Solvated Anions: RO.HF- or ROH.F-?, J. Am. Chem. Soc., 1996, 118, 49, 12424, https://doi.org/10.1021/ja954202k . [all data]

Gellner and Skinner, 1949
Gellner, O.H.; Skinner, H.A., Dissociation energies of carbon-halogen bonds. The bond strengths allyl-X and benzyl-X, J. Chem. Soc., 1949, 1145-1148. [all data]

Cubberley and Mueller, 1946
Cubberley, A.H.; Mueller, M.B., Equilibrium studies on the dehydrogenation of primary and secondary alcohols. I. 2-Butanol, 2-octanol, cyclopentanol and benzyl alcohol, J. Am. Chem. Soc., 1946, 68, 1149-1151. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References